experiment.h

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/*
 *    Copyright (c) 2013-2024
 *      SMASH Team
 *
 *    GNU General Public License (GPLv3 or later)
 */
#ifndef SRC_INCLUDE_SMASH_EXPERIMENT_H_
#define SRC_INCLUDE_SMASH_EXPERIMENT_H_
 
#include <algorithm>
#include <limits>
#include <memory>
#include <set>
#include <string>
#include <utility>
#include <vector>
 
#include "actionfinderfactory.h"
#include "actions.h"
#include "bremsstrahlungaction.h"
#include "chrono.h"
#include "decayactionsfinder.h"
#include "decayactionsfinderdilepton.h"
#include "energymomentumtensor.h"
#include "fields.h"
#include "fourvector.h"
#include "grandcan_thermalizer.h"
#include "grid.h"
#include "hypersurfacecrossingaction.h"
#include "outputparameters.h"
#include "pauliblocking.h"
#include "potential_globals.h"
#include "potentials.h"
#include "propagation.h"
#include "quantumnumbers.h"
#include "scatteractionphoton.h"
#include "scatteractionsfinder.h"
#include "stringprocess.h"
#include "thermalizationaction.h"
// Output
#include "binaryoutput.h"
#ifdef SMASH_USE_HEPMC
#include "hepmcoutput.h"
#endif
#ifdef SMASH_USE_RIVET
#include "rivetoutput.h"
#endif
#include "icoutput.h"
#include "oscaroutput.h"
#include "thermodynamiclatticeoutput.h"
#include "thermodynamicoutput.h"
#ifdef SMASH_USE_ROOT
#include "rootoutput.h"
#endif
#include "freeforallaction.h"
#include "vtkoutput.h"
#include "wallcrossingaction.h"
 
namespace std {
template <typename T, typename Ratio>
static ostream &operator<<(ostream &out,
                           const chrono::duration<T, Ratio> &seconds) {
  using Seconds = chrono::duration<double>;
  using Minutes = chrono::duration<double, std::ratio<60>>;
  using Hours = chrono::duration<double, std::ratio<60 * 60>>;
  constexpr Minutes threshold_for_minutes{10};
  constexpr Hours threshold_for_hours{3};
  if (seconds < threshold_for_minutes) {
    return out << Seconds(seconds).count() << " [s]";
  }
  if (seconds < threshold_for_hours) {
    return out << Minutes(seconds).count() << " [min]";
  }
  return out << Hours(seconds).count() << " [h]";
}
}  // namespace std
 
namespace smash {
static constexpr int LMain = LogArea::Main::id;
static constexpr int LInitialConditions = LogArea::InitialConditions::id;
 
class ExperimentBase {
 public:
  ExperimentBase() = default;
  virtual ~ExperimentBase() = default;
 
  static std::unique_ptr<ExperimentBase> create(
      Configuration &config, const std::filesystem::path &output_path);
 
  virtual void run() = 0;
 
  struct InvalidModusRequest : public std::invalid_argument {
    using std::invalid_argument::invalid_argument;
  };
 
  struct NonExistingOutputPathRequest : public std::invalid_argument {
    using std::invalid_argument::invalid_argument;
  };
};
 
template <typename Modus>
class Experiment;
template <typename Modus>
std::ostream &operator<<(std::ostream &out, const Experiment<Modus> &e);
 
template <typename Modus>
class Experiment : public ExperimentBase {
  friend class ExperimentBase;
 
 public:
  void run() override;
 
  explicit Experiment(Configuration &config,
                      const std::filesystem::path &output_path);
 
  void initialize_new_event();
 
  void run_time_evolution(const double t_end, ParticleList &&add_plist = {},
                          ParticleList &&remove_plist = {});
 
  void do_final_decays();
 
  void final_output();
 
  Particles *first_ensemble() { return &ensembles_[0]; }
  std::vector<Particles> *all_ensembles() { return &ensembles_; }
 
  Modus *modus() { return &modus_; }
 
  void increase_event_number();
 
 private:
  bool perform_action(Action &action, int i_ensemble,
                      bool include_pauli_blocking = true);
  void create_output(const std::string &format, const std::string &content,
                     const std::filesystem::path &output_path,
                     const OutputParameters &par);
 
  void propagate_and_shine(double to_time, Particles &particles);
 
  void run_time_evolution_timestepless(Actions &actions, int i_ensemble,
                                       const double end_time_propagation);
 
  void intermediate_output();
 
  void update_potentials();
 
  double compute_min_cell_length(double dt) const {
    if (parameters_.coll_crit == CollisionCriterion::Stochastic) {
      return parameters_.fixed_min_cell_length;
    }
    return std::sqrt(4 * dt * dt + max_transverse_distance_sqr_);
  }
 
  double next_output_time() const {
    return parameters_.outputclock->next_time();
  }
 
  void count_nonempty_ensembles();
 
  bool is_finished();
 
  ExperimentParameters parameters_;
 
  DensityParameters density_param_;
 
  Modus modus_;
 
  std::vector<Particles> ensembles_;
 
  std::unique_ptr<Potentials> potentials_;
 
  std::unique_ptr<PauliBlocker> pauli_blocker_;
 
  OutputsList outputs_;
 
  OutputPtr dilepton_output_;
 
  OutputPtr photon_output_;
 
  std::vector<bool> projectile_target_interact_;
 
  std::vector<FourVector> beam_momentum_ = {};
 
  std::vector<std::unique_ptr<ActionFinderInterface>> action_finders_;
 
  std::unique_ptr<DecayActionsFinderDilepton> dilepton_finder_;
 
  std::unique_ptr<ActionFinderInterface> photon_finder_;
 
  int n_fractional_photons_;
 
  std::unique_ptr<DensityLattice> j_QBS_lat_;
 
  std::unique_ptr<DensityLattice> jmu_B_lat_;
 
  std::unique_ptr<DensityLattice> jmu_I3_lat_;
 
  std::unique_ptr<DensityLattice> jmu_el_lat_;
 
  std::unique_ptr<FieldsLattice> fields_lat_;
 
  std::unique_ptr<DensityLattice> jmu_custom_lat_;
 
  DensityType dens_type_lattice_printout_ = DensityType::None;
 
  std::unique_ptr<RectangularLattice<FourVector>> UB_lat_ = nullptr;
 
  std::unique_ptr<RectangularLattice<FourVector>> UI3_lat_ = nullptr;
 
  std::unique_ptr<RectangularLattice<std::pair<ThreeVector, ThreeVector>>>
      FB_lat_;
 
  std::unique_ptr<RectangularLattice<std::pair<ThreeVector, ThreeVector>>>
      FI3_lat_;
 
  std::unique_ptr<RectangularLattice<std::pair<ThreeVector, ThreeVector>>>
      EM_lat_;
 
  std::unique_ptr<RectangularLattice<EnergyMomentumTensor>> Tmn_;
 
  std::unique_ptr<RectangularLattice<FourVector>> old_jmu_auxiliary_;
  std::unique_ptr<RectangularLattice<FourVector>> new_jmu_auxiliary_;
  std::unique_ptr<RectangularLattice<std::array<FourVector, 4>>>
      four_gradient_auxiliary_;
 
  std::unique_ptr<RectangularLattice<FourVector>> old_fields_auxiliary_;
  std::unique_ptr<RectangularLattice<FourVector>> new_fields_auxiliary_;
  std::unique_ptr<RectangularLattice<std::array<FourVector, 4>>>
      fields_four_gradient_auxiliary_;
 
  bool printout_rho_eckart_ = false;
 
  bool printout_tmn_ = false;
 
  bool printout_tmn_landau_ = false;
 
  bool printout_v_landau_ = false;
 
  bool printout_j_QBS_ = false;
 
  bool printout_lattice_td_ = false;
 
  bool printout_full_lattice_any_td_ = false;
 
  std::unique_ptr<GrandCanThermalizer> thermalizer_;
 
  StringProcess *process_string_ptr_;
 
  const int nevents_ = 0;
 
  int minimum_nonempty_ensembles_ = 0;
 
  EventCounting event_counting_ = EventCounting::Invalid;
 
  int event_ = 0;
 
  int nonempty_ensembles_ = 0;
 
  int max_events_ = 0;
 
  const double end_time_;
 
  const double delta_time_startup_;
 
  const bool force_decays_;
 
  const bool use_grid_;
 
  const ExpansionProperties metric_;
 
  const bool dileptons_switch_;
 
  const bool photons_switch_;
 
  const bool bremsstrahlung_switch_;
 
  const bool IC_output_switch_;
 
  const TimeStepMode time_step_mode_;
 
  double max_transverse_distance_sqr_ = std::numeric_limits<double>::max();
 
  QuantumNumbers conserved_initial_;
 
  double initial_mean_field_energy_;
 
  SystemTimePoint time_start_ = SystemClock::now();
 
  DensityType dens_type_ = DensityType::None;
 
  uint64_t interactions_total_ = 0;
 
  uint64_t previous_interactions_total_ = 0;
 
  uint64_t wall_actions_total_ = 0;
 
  uint64_t previous_wall_actions_total_ = 0;
 
  uint64_t total_pauli_blocked_ = 0;
 
  uint64_t total_hypersurface_crossing_actions_ = 0;
 
  uint64_t discarded_interactions_total_ = 0;
 
  double total_energy_removed_ = 0.0;
 
  double total_energy_violated_by_Pythia_ = 0.0;
 
  bool kinematic_cuts_for_IC_output_ = false;
 
  int64_t seed_ = -1;
 
  friend std::ostream &operator<<<>(std::ostream &out, const Experiment &e);
};
 
template <typename Modus>
std::ostream &operator<<(std::ostream &out, const Experiment<Modus> &e) {
  out << "End time: " << e.end_time_ << " fm\n";
  out << e.modus_;
  return out;
}
 
template <typename Modus>
void Experiment<Modus>::create_output(const std::string &format,
                                      const std::string &content,
                                      const std::filesystem::path &output_path,
                                      const OutputParameters &out_par) {
  logg[LExperiment].info() << "Adding output " << content << " of format "
                           << format << std::endl;
 
  if (format == "VTK" && content == "Particles") {
    outputs_.emplace_back(
        std::make_unique<VtkOutput>(output_path, content, out_par));
  } else if (format == "Root") {
#ifdef SMASH_USE_ROOT
    if (content == "Initial_Conditions") {
      outputs_.emplace_back(
          std::make_unique<RootOutput>(output_path, "SMASH_IC", out_par));
    } else {
      outputs_.emplace_back(
          std::make_unique<RootOutput>(output_path, content, out_par));
    }
#else
    logg[LExperiment].error(
        "Root output requested, but Root support not compiled in");
#endif
  } else if (format == "Binary") {
    if (content == "Collisions" || content == "Dileptons" ||
        content == "Photons") {
      outputs_.emplace_back(std::make_unique<BinaryOutputCollisions>(
          output_path, content, out_par));
    } else if (content == "Particles") {
      outputs_.emplace_back(std::make_unique<BinaryOutputParticles>(
          output_path, content, out_par));
    } else if (content == "Initial_Conditions") {
      outputs_.emplace_back(std::make_unique<BinaryOutputInitialConditions>(
          output_path, content, out_par));
    }
  } else if (format == "Oscar1999" || format == "Oscar2013") {
    outputs_.emplace_back(
        create_oscar_output(format, content, output_path, out_par));
  } else if (content == "Thermodynamics" && format == "ASCII") {
    outputs_.emplace_back(
        std::make_unique<ThermodynamicOutput>(output_path, content, out_par));
  } else if (content == "Thermodynamics" &&
             (format == "Lattice_ASCII" || format == "Lattice_Binary")) {
    printout_full_lattice_any_td_ = true;
    outputs_.emplace_back(std::make_unique<ThermodynamicLatticeOutput>(
        output_path, content, out_par, format == "Lattice_ASCII",
        format == "Lattice_Binary"));
  } else if (content == "Thermodynamics" && format == "VTK") {
    printout_lattice_td_ = true;
    outputs_.emplace_back(
        std::make_unique<VtkOutput>(output_path, content, out_par));
  } else if (content == "Initial_Conditions" && format == "ASCII") {
    outputs_.emplace_back(
        std::make_unique<ICOutput>(output_path, "SMASH_IC", out_par));
  } else if ((format == "HepMC") || (format == "HepMC_asciiv3") ||
             (format == "HepMC_treeroot")) {
#ifdef SMASH_USE_HEPMC
    if (content == "Particles") {
      if ((format == "HepMC") || (format == "HepMC_asciiv3")) {
        outputs_.emplace_back(std::make_unique<HepMcOutput>(
            output_path, "SMASH_HepMC_particles", false, "asciiv3"));
      } else if (format == "HepMC_treeroot") {
#ifdef SMASH_USE_HEPMC_ROOTIO
        outputs_.emplace_back(std::make_unique<HepMcOutput>(
            output_path, "SMASH_HepMC_particles", false, "root"));
#else
        logg[LExperiment].error(
            "Requested HepMC_treeroot output not available, "
            "ROOT or HepMC3 ROOTIO missing or not found by cmake.");
#endif
      }
    } else if (content == "Collisions") {
      if ((format == "HepMC") || (format == "HepMC_asciiv3")) {
        outputs_.emplace_back(std::make_unique<HepMcOutput>(
            output_path, "SMASH_HepMC_collisions", true, "asciiv3"));
      } else if (format == "HepMC_treeroot") {
#ifdef SMASH_USE_HEPMC_ROOTIO
        outputs_.emplace_back(std::make_unique<HepMcOutput>(
            output_path, "SMASH_HepMC_collisions", true, "root"));
#else
        logg[LExperiment].error(
            "Requested HepMC_treeroot output not available, "
            "ROOT or HepMC3 ROOTIO missing or not found by cmake.");
#endif
      }
    } else {
      logg[LExperiment].error(
          "HepMC only available for Particles and "
          "Collisions content. Requested for " +
          content + ".");
    }
#else
    logg[LExperiment].error(
        "HepMC output requested, but HepMC support not compiled in");
#endif
  } else if (content == "Coulomb" && format == "VTK") {
    outputs_.emplace_back(
        std::make_unique<VtkOutput>(output_path, "Fields", out_par));
  } else if (content == "Rivet") {
#ifdef SMASH_USE_RIVET
    // flag to ensure that the Rivet format has not been already assigned
    static bool rivet_format_already_selected = false;
    // if the next check is true, then we are trying to assign the format twice
    if (rivet_format_already_selected) {
      logg[LExperiment].warn(
          "Rivet output format can only be one, either YODA or YODA-full. "
          "Only your first valid choice will be used.");
      return;
    }
    if (format == "YODA") {
      outputs_.emplace_back(std::make_unique<RivetOutput>(
          output_path, "SMASH_Rivet", false, out_par.rivet_parameters));
      rivet_format_already_selected = true;
    } else if (format == "YODA-full") {
      outputs_.emplace_back(std::make_unique<RivetOutput>(
          output_path, "SMASH_Rivet_full", true, out_par.rivet_parameters));
      rivet_format_already_selected = true;
    } else {
      logg[LExperiment].error("Rivet format " + format +
                              "not one of YODA or YODA-full");
    }
#else
    logg[LExperiment].error(
        "Rivet output requested, but Rivet support not compiled in");
#endif
  } else {
    logg[LExperiment].error()
        << "Unknown combination of format (" << format << ") and content ("
        << content << "). Fix the config.";
  }
}
 
ExperimentParameters create_experiment_parameters(Configuration &config);
 
template <typename Modus>
Experiment<Modus>::Experiment(Configuration &config,
                              const std::filesystem::path &output_path)
    : parameters_(create_experiment_parameters(config)),
      density_param_(DensityParameters(parameters_)),
      modus_(std::invoke([&]() {
        /* This immediately invoked lambda is a work-around to cope with the
         * fact that the "Collisions_Within_Nucleus" key belongs to the
         * "Collider" section, but is used by the ScatterActionsFinder through
         * the ScatterActionsFinderParameters member. Here that key is taken
         * from the main configuration and put there back after the "Collider"
         * section is extracted. If this were not done in this way, the
         * sub-configuration given to ColliderModus would be deleted at the end
         * of its constructor not empty and this would throw an exception.*/
        const std::initializer_list<const char *> key_labels = {
            "Modi", "Collider", "Collisions_Within_Nucleus"};
        const bool restore_key = config.has_value(key_labels);
        const bool temporary_taken_key = config.take(key_labels, false);
        auto modus_config = config.extract_sub_configuration({"Modi"});
        if (restore_key) {
          config.set_value(key_labels, temporary_taken_key);
        }
        return Modus{std::move(modus_config), parameters_};
      })),
      ensembles_(parameters_.n_ensembles),
      nevents_(config.take({"General", "Nevents"}, 0)),
      end_time_(config.take({"General", "End_Time"})),
      delta_time_startup_(parameters_.labclock->timestep_duration()),
      force_decays_(
          config.take({"Collision_Term", "Force_Decays_At_End"}, true)),
      use_grid_(config.take({"General", "Use_Grid"}, true)),
      metric_(
          config.take({"General", "Metric_Type"}, ExpansionMode::NoExpansion),
          config.take({"General", "Expansion_Rate"}, 0.1)),
      dileptons_switch_(
          config.take({"Collision_Term", "Dileptons", "Decays"}, false)),
      photons_switch_(config.take(
          {"Collision_Term", "Photons", "2to2_Scatterings"}, false)),
      bremsstrahlung_switch_(
          config.take({"Collision_Term", "Photons", "Bremsstrahlung"}, false)),
      IC_output_switch_(config.has_value({"Output", "Initial_Conditions"})),
      time_step_mode_(
          config.take({"General", "Time_Step_Mode"}, TimeStepMode::Fixed)) {
  logg[LExperiment].info() << *this;
 
  if (config.has_value({"General", "Minimum_Nonempty_Ensembles"})) {
    if (config.has_value({"General", "Nevents"})) {
      throw std::invalid_argument(
          "Please specify either Nevents or Minimum_Nonempty_Ensembles.");
    }
    event_counting_ = EventCounting::MinimumNonEmpty;
    minimum_nonempty_ensembles_ =
        config.take({"General", "Minimum_Nonempty_Ensembles", "Number"});
    int max_ensembles = config.take(
        {"General", "Minimum_Nonempty_Ensembles", "Maximum_Ensembles_Run"});
    max_events_ =
        std::ceil(static_cast<double>(max_ensembles) / parameters_.n_ensembles);
  } else {
    event_counting_ = EventCounting::FixedNumber;
  }
 
  // covariant derivatives can only be done with covariant smearing
  if (parameters_.derivatives_mode == DerivativesMode::CovariantGaussian &&
      parameters_.smearing_mode != SmearingMode::CovariantGaussian) {
    throw std::invalid_argument(
        "Covariant Gaussian derivatives only make sense for Covariant Gaussian "
        "smearing!");
  }
 
  // for triangular smearing:
  // the weight needs to be larger than 1./7. for the center cell to contribute
  // more than the surrounding cells
  if (parameters_.smearing_mode == SmearingMode::Discrete &&
      parameters_.discrete_weight < (1. / 7.)) {
    throw std::invalid_argument(
        "The central weight for discrete smearing should be >= 1./7.");
  }
 
  if (parameters_.coll_crit == CollisionCriterion::Stochastic &&
      (time_step_mode_ != TimeStepMode::Fixed || !use_grid_)) {
    throw std::invalid_argument(
        "The stochastic criterion can only be employed for fixed time step "
        "mode and with a grid!");
  }
 
  if (modus_.is_box() && (time_step_mode_ != TimeStepMode::Fixed)) {
    throw std::invalid_argument(
        "The box modus can only be used with the fixed time step mode!");
  }
 
  logg[LExperiment].info("Using ", parameters_.testparticles,
                         " testparticles per particle.");
  logg[LExperiment].info("Using ", parameters_.n_ensembles,
                         " parallel ensembles.");
 
  if (modus_.is_box() &&
      config.read({"Collision_Term", "Total_Cross_Section_Strategy"},
                  InputKeys::collTerm_totXsStrategy.default_value()) !=
          TotalCrossSectionStrategy::BottomUp) {
    logg[LExperiment].warn(
        "To preserve detailed balance in a box simulation, it is recommended "
        "to use the bottom-up strategy for evaluating total cross sections.\n"
        "Consider adding the following line to the 'Collision_Term' section "
        "in your configuration file:\n"
        "   Total_Cross_Section_Strategy: \"BottomUp\"");
  }
  if (modus_.is_box() &&
      config.read({"Collision_Term", "Pseudoresonance"},
                  InputKeys::collTerm_pseudoresonance.default_value()) !=
          PseudoResonance::None) {
    logg[LExperiment].warn(
        "To preserve detailed balance in a box simulation, it is recommended "
        "to not include the pseudoresonances,\nas they artificially increase "
        "the resonance production without changing the corresponding "
        "decay.\nConsider adding the following line to the 'Collision_Term' "
        "section in your configuration file:\n   Pseudoresonance: \"None\"");
  }
 
  /* In collider setup with sqrts >= 200 GeV particles don't form continuously
   *
   * NOTE: This key has to be taken before the ScatterActionsFinder is created
   *       because there the "String_Parameters" is extracted as sub-config and
   *       all parameters but this one are taken. If this one is still there
   *       the configuration temporary object will be destroyed not empty, hence
   *       throwing an exception.
   */
  ParticleData::formation_power_ = config.take(
      {"Collision_Term", "String_Parameters", "Power_Particle_Formation"},
      modus_.sqrt_s_NN() >= 200. ? -1. : 1.);
 
  // create finders
  if (dileptons_switch_) {
    dilepton_finder_ = std::make_unique<DecayActionsFinderDilepton>();
  }
  if (photons_switch_ || bremsstrahlung_switch_) {
    n_fractional_photons_ =
        config.take({"Collision_Term", "Photons", "Fractional_Photons"}, 100);
  }
  if (parameters_.two_to_one) {
    if (parameters_.res_lifetime_factor < 0.) {
      throw std::invalid_argument(
          "Resonance lifetime modifier cannot be negative!");
    }
    if (parameters_.res_lifetime_factor < really_small) {
      logg[LExperiment].warn(
          "Resonance lifetime set to zero. Make sure resonances cannot "
          "interact",
          "inelastically (e.g. resonance chains), else SMASH is known to "
          "hang.");
    }
    action_finders_.emplace_back(std::make_unique<DecayActionsFinder>(
        parameters_.res_lifetime_factor, parameters_.do_weak_decays));
  }
  bool no_coll = config.take({"Collision_Term", "No_Collisions"}, false);
  if ((parameters_.two_to_one || parameters_.included_2to2.any() ||
       parameters_.included_multi.any() || parameters_.strings_switch) &&
      !no_coll) {
    parameters_.use_monash_tune_default =
        (modus_.is_collider() && modus_.sqrt_s_NN() >= 200.);
    auto scat_finder =
        std::make_unique<ScatterActionsFinder>(config, parameters_);
    max_transverse_distance_sqr_ =
        scat_finder->max_transverse_distance_sqr(parameters_.testparticles);
    process_string_ptr_ = scat_finder->get_process_string_ptr();
    action_finders_.emplace_back(std::move(scat_finder));
  } else {
    max_transverse_distance_sqr_ =
        parameters_.maximum_cross_section / M_PI * fm2_mb;
    process_string_ptr_ = NULL;
  }
  if (modus_.is_box()) {
    action_finders_.emplace_back(
        std::make_unique<WallCrossActionsFinder>(parameters_.box_length));
  }
  if (IC_output_switch_) {
    if (!modus_.is_collider()) {
      throw std::runtime_error(
          "Initial conditions can only be extracted in collider modus.");
    }
    double proper_time;
    if (config.has_value({"Output", "Initial_Conditions", "Proper_Time"})) {
      // Read in proper time from config
      proper_time =
          config.take({"Output", "Initial_Conditions", "Proper_Time"});
    } else {
      // Default proper time is the passing time of the two nuclei
      double default_proper_time = modus_.nuclei_passing_time();
      double lower_bound =
          config.take({"Output", "Initial_Conditions", "Lower_Bound"}, 0.5);
      if (default_proper_time >= lower_bound) {
        proper_time = default_proper_time;
      } else {
        logg[LInitialConditions].warn()
            << "Nuclei passing time is too short, hypersurface proper time set "
               "to tau = "
            << lower_bound << " fm.";
        proper_time = lower_bound;
      }
    }
 
    double rapidity_cut = 0.0;
    if (config.has_value({"Output", "Initial_Conditions", "Rapidity_Cut"})) {
      rapidity_cut =
          config.take({"Output", "Initial_Conditions", "Rapidity_Cut"});
      if (rapidity_cut <= 0.0) {
        logg[LInitialConditions].fatal()
            << "Rapidity cut for initial conditions configured as abs(y) < "
            << rapidity_cut << " is unreasonable. \nPlease choose a positive, "
            << "non-zero value or employ SMASH without rapidity cut.";
        throw std::runtime_error(
            "Kinematic cut for initial conditions malconfigured.");
      }
    }
 
    if (modus_.calculation_frame_is_fixed_target() && rapidity_cut != 0.0) {
      throw std::runtime_error(
          "Rapidity cut for initial conditions output is not implemented "
          "in the fixed target calculation frame. \nPlease use "
          "\"center of velocity\" or \"center of mass\" as a "
          "\"Calculation_Frame\" instead.");
    }
 
    double transverse_momentum_cut = 0.0;
    if (config.has_value({"Output", "Initial_Conditions", "pT_Cut"})) {
      transverse_momentum_cut =
          config.take({"Output", "Initial_Conditions", "pT_Cut"});
      if (transverse_momentum_cut <= 0.0) {
        logg[LInitialConditions].fatal()
            << "transverse momentum cut for initial conditions configured as "
               "pT < "
            << rapidity_cut << " is unreasonable. \nPlease choose a positive, "
            << "non-zero value or employ SMASH without pT cut.";
        throw std::runtime_error(
            "Kinematic cut for initial conditions misconfigured.");
      }
    }
 
    if (rapidity_cut > 0.0 || transverse_momentum_cut > 0.0) {
      kinematic_cuts_for_IC_output_ = true;
    }
 
    if (rapidity_cut > 0.0 && transverse_momentum_cut > 0.0) {
      logg[LInitialConditions].info()
          << "Extracting initial conditions in kinematic range: "
          << -rapidity_cut << " <= y <= " << rapidity_cut
          << "; pT <= " << transverse_momentum_cut << " GeV.";
    } else if (rapidity_cut > 0.0) {
      logg[LInitialConditions].info()
          << "Extracting initial conditions in kinematic range: "
          << -rapidity_cut << " <= y <= " << rapidity_cut << ".";
    } else if (transverse_momentum_cut > 0.0) {
      logg[LInitialConditions].info()
          << "Extracting initial conditions in kinematic range: pT <= "
          << transverse_momentum_cut << " GeV.";
    } else {
      logg[LInitialConditions].info()
          << "Extracting initial conditions without kinematic cuts.";
    }
 
    action_finders_.emplace_back(
        std::make_unique<HyperSurfaceCrossActionsFinder>(
            proper_time, rapidity_cut, transverse_momentum_cut));
  }
 
  if (config.has_value({"Collision_Term", "Pauli_Blocking"})) {
    logg[LExperiment].info() << "Pauli blocking is ON.";
    pauli_blocker_ = std::make_unique<PauliBlocker>(
        config.extract_sub_configuration({"Collision_Term", "Pauli_Blocking"}),
        parameters_);
  }
 
  // create outputs
  logg[LExperiment].trace(SMASH_SOURCE_LOCATION,
                          " create OutputInterface objects");
  dens_type_ = config.take({"Output", "Density_Type"}, DensityType::None);
  logg[LExperiment].debug()
      << "Density type printed to headers: " << dens_type_;
 
  /* Parse configuration about output contents and formats, doing all logical
   * checks about specified formats, creating all needed output objects. */
  auto output_conf = config.extract_sub_configuration(
      {"Output"}, Configuration::GetEmpty::Yes);
  if (output_path == "") {
    throw std::invalid_argument(
        "Invalid empty output path provided to Experiment constructor.");
  } else if (!std::filesystem::exists(output_path)) {
    logg[LExperiment].fatal(
        "Output path \"" + output_path.string() +
        "\" used to create an Experiment object does not exist.");
    throw NonExistingOutputPathRequest("Attempt to use not existing path.");
  } else if (!std::filesystem::is_directory(output_path)) {
    logg[LExperiment].fatal("Output path \"" + output_path.string() +
                            "\" used to create an Experiment object "
                            "exists, but it is not a directory.");
    throw std::logic_error("Attempt to use invalid existing path.");
  }
  if (output_conf.is_empty()) {
    logg[LExperiment].warn() << "No \"Output\" section found in the input "
                                "file. No output file will be produced.";
  }
  const std::vector<std::string> output_contents =
      output_conf.list_upmost_nodes();
  std::vector<std::vector<std::string>> list_of_formats(output_contents.size());
  std::transform(
      output_contents.cbegin(), output_contents.cend(), list_of_formats.begin(),
      [&output_conf](std::string content) -> std::vector<std::string> {
        /* Use here a default value for "Format" even though it is a required
         * key, just because then here below the error for the user is more
         * informative, if the key was not given in the input file. */
        return output_conf.take({content.c_str(), "Format"},
                                std::vector<std::string>{});
      });
  const OutputParameters output_parameters(std::move(output_conf));
  std::size_t total_number_of_requested_formats = 0;
  auto abort_because_of_invalid_input_file = []() {
    throw std::invalid_argument("Invalid configuration input file.");
  };
  for (std::size_t i = 0; i < output_contents.size(); ++i) {
    if (list_of_formats[i].empty()) {
      logg[LExperiment].fatal()
          << "Empty or unspecified list of formats for "
          << std::quoted(output_contents[i]) << " content.";
      abort_because_of_invalid_input_file();
    } else if (std::find(list_of_formats[i].begin(), list_of_formats[i].end(),
                         "None") != list_of_formats[i].end()) {
      if (list_of_formats[i].size() > 1) {
        logg[LExperiment].fatal()
            << "Use of \"None\" output format together with other formats is "
               "not allowed.\nInvalid \"Format\" key for "
            << std::quoted(output_contents[i]) << " content.";
        abort_because_of_invalid_input_file();
      } else {
        // Clear vector so that the for below is skipped and no output created
        list_of_formats[i].clear();
      }
    } else if (std::set<std::string> tmp_set(list_of_formats[i].begin(),
                                             list_of_formats[i].end());
               list_of_formats[i].size() != tmp_set.size()) {
      auto join_container = [](const auto &container) {
        std::string result{};
        std::for_each(container.cbegin(), container.cend(),
                      [&result](const std::string s) {
                        result += (result == "") ? s : ", " + s;
                      });
        return result;
      };
      const std::string old_formats = join_container(list_of_formats[i]),
                        new_formats = join_container(tmp_set);
      logg[LExperiment].warn()
          << "Found the same output format multiple times for "
          << std::quoted(output_contents[i])
          << " content. Duplicates will be ignored:\n 'Format: [" << old_formats
          << "] -> [" << new_formats << "]'";
      list_of_formats[i].assign(tmp_set.begin(), tmp_set.end());
    }
    for (const auto &format : list_of_formats[i]) {
      create_output(format, output_contents[i], output_path, output_parameters);
      ++total_number_of_requested_formats;
    }
  }
  if (outputs_.size() != total_number_of_requested_formats) {
    logg[LExperiment].fatal()
        << "At least one invalid output format has been provided.";
    abort_because_of_invalid_input_file();
  }
 
  /* We can take away the Fermi motion flag, because the collider modus is
   * already initialized. We only need it when potentials are enabled, but we
   * always have to take it, otherwise SMASH will complain about unused
   * options. We have to provide a default value for modi other than Collider.
   */
  if (config.has_value({"Potentials"})) {
    if (time_step_mode_ == TimeStepMode::None) {
      logg[LExperiment].error() << "Potentials only work with time steps!";
      throw std::invalid_argument("Can't use potentials without time steps!");
    }
    if (modus_.fermi_motion() == FermiMotion::Frozen) {
      logg[LExperiment].error()
          << "Potentials don't work with frozen Fermi momenta! "
             "Use normal Fermi motion instead.";
      throw std::invalid_argument(
          "Can't use potentials "
          "with frozen Fermi momenta!");
    }
    logg[LExperiment].info() << "Potentials are ON. Timestep is "
                             << parameters_.labclock->timestep_duration();
    // potentials need density calculation parameters from parameters_
    potentials_ = std::make_unique<Potentials>(
        config.extract_sub_configuration({"Potentials"}), parameters_);
    // make sure that vdf potentials are not used together with Skyrme
    // or symmetry potentials
    if (potentials_->use_skyrme() && potentials_->use_vdf()) {
      throw std::runtime_error(
          "Can't use Skyrme and VDF potentials at the same time!");
    }
    if (potentials_->use_symmetry() && potentials_->use_vdf()) {
      throw std::runtime_error(
          "Can't use symmetry and VDF potentials at the same time!");
    }
    if (potentials_->use_skyrme()) {
      logg[LExperiment].info() << "Skyrme potentials are:\n";
      logg[LExperiment].info()
          << "\t\tSkyrme_A [MeV] = " << potentials_->skyrme_a() << "\n";
      logg[LExperiment].info()
          << "\t\tSkyrme_B [MeV] = " << potentials_->skyrme_b() << "\n";
      logg[LExperiment].info()
          << "\t\t    Skyrme_tau = " << potentials_->skyrme_tau() << "\n";
    }
    if (potentials_->use_symmetry()) {
      logg[LExperiment].info()
          << "Symmetry potential is:"
          << "\n   S_pot [MeV] = " << potentials_->symmetry_S_pot() << "\n";
    }
    if (potentials_->use_vdf()) {
      logg[LExperiment].info() << "VDF potential parameters are:\n";
      logg[LExperiment].info() << "\t\tsaturation density [fm^-3] = "
                               << potentials_->saturation_density() << "\n";
      for (int i = 0; i < potentials_->number_of_terms(); i++) {
        logg[LExperiment].info()
            << "\t\tCoefficient_" << i + 1 << " = "
            << 1000.0 * (potentials_->coeffs())[i] << " [MeV]   \t Power_"
            << i + 1 << " = " << (potentials_->powers())[i] << "\n";
      }
    }
    // if potentials are on, derivatives need to be calculated
    if (parameters_.derivatives_mode == DerivativesMode::Off &&
        parameters_.field_derivatives_mode == FieldDerivativesMode::ChainRule) {
      throw std::invalid_argument(
          "Derivatives are necessary for running with potentials.\n"
          "Derivatives_Mode: \"Off\" only makes sense for "
          "Field_Derivatives_Mode: \"Direct\"!\nUse \"Covariant Gaussian\" or "
          "\"Finite difference\".");
    }
    // for computational efficiency, we want to turn off the derivatives of jmu
    // and the rest frame density derivatives if direct derivatives are used
    if (parameters_.field_derivatives_mode == FieldDerivativesMode::Direct) {
      parameters_.derivatives_mode = DerivativesMode::Off;
      parameters_.rho_derivatives_mode = RestFrameDensityDerivativesMode::Off;
    }
    switch (parameters_.derivatives_mode) {
      case DerivativesMode::CovariantGaussian:
        logg[LExperiment].info() << "Covariant Gaussian derivatives are ON";
        break;
      case DerivativesMode::FiniteDifference:
        logg[LExperiment].info() << "Finite difference derivatives are ON";
        break;
      case DerivativesMode::Off:
        logg[LExperiment].info() << "Gradients of baryon current are OFF";
        break;
    }
    switch (parameters_.rho_derivatives_mode) {
      case RestFrameDensityDerivativesMode::On:
        logg[LExperiment].info() << "Rest frame density derivatives are ON";
        break;
      case RestFrameDensityDerivativesMode::Off:
        logg[LExperiment].info() << "Rest frame density derivatives are OFF";
        break;
    }
    // direct or chain rule derivatives only make sense for the VDF potentials
    if (potentials_->use_vdf()) {
      switch (parameters_.field_derivatives_mode) {
        case FieldDerivativesMode::ChainRule:
          logg[LExperiment].info() << "Chain rule field derivatives are ON";
          break;
        case FieldDerivativesMode::Direct:
          logg[LExperiment].info() << "Direct field derivatives are ON";
          break;
      }
    }
    /*
     * Necessary safety checks
     */
    // VDF potentials need derivatives of rest frame density or fields
    if (potentials_->use_vdf() && (parameters_.rho_derivatives_mode ==
                                       RestFrameDensityDerivativesMode::Off &&
                                   parameters_.field_derivatives_mode ==
                                       FieldDerivativesMode::ChainRule)) {
      throw std::runtime_error(
          "Can't use VDF potentials without rest frame density derivatives or "
          "direct field derivatives!");
    }
    // potentials require using gradients
    if (parameters_.derivatives_mode == DerivativesMode::Off &&
        parameters_.field_derivatives_mode == FieldDerivativesMode::ChainRule) {
      throw std::runtime_error(
          "Can't use potentials without gradients of baryon current (Skyrme, "
          "VDF)"
          " or direct field derivatives (VDF)!");
    }
    // direct field derivatives only make sense for the VDF potentials
    if (!(potentials_->use_vdf()) &&
        parameters_.field_derivatives_mode == FieldDerivativesMode::Direct) {
      throw std::invalid_argument(
          "Field_Derivatives_Mode: \"Direct\" only makes sense for the VDF "
          "potentials!\nUse Field_Derivatives_Mode: \"Chain Rule\" or comment "
          "this option out (Chain Rule is default)");
    }
  }
 
  // information about the type of smearing
  switch (parameters_.smearing_mode) {
    case SmearingMode::CovariantGaussian:
      logg[LExperiment].info() << "Smearing type: Covariant Gaussian";
      break;
    case SmearingMode::Discrete:
      logg[LExperiment].info() << "Smearing type: Discrete with weight = "
                               << parameters_.discrete_weight;
      break;
    case SmearingMode::Triangular:
      logg[LExperiment].info() << "Smearing type: Triangular with range = "
                               << parameters_.triangular_range;
      break;
  }
 
  // Create lattices
  if (config.has_value({"Lattice"})) {
    bool automatic = config.take({"Lattice", "Automatic"}, false);
    bool all_geometrical_properties_specified =
        config.has_value({"Lattice", "Cell_Number"}) &&
        config.has_value({"Lattice", "Origin"}) &&
        config.has_value({"Lattice", "Sizes"});
    if (!automatic && !all_geometrical_properties_specified) {
      throw std::invalid_argument(
          "The lattice was requested to be manually generated, but some\n"
          "lattice geometrical property was not specified. Be sure to provide\n"
          "both \"Cell_Number\" and \"Origin\" and \"Sizes\".");
    }
    if (automatic && all_geometrical_properties_specified) {
      throw std::invalid_argument(
          "The lattice was requested to be automatically generated, but all\n"
          "lattice geometrical properties were specified. In this case you\n"
          "need to set \"Automatic: False\".");
    }
    bool periodic = config.take({"Lattice", "Periodic"}, modus_.is_box());
    const auto [l, n, origin] = [&config, automatic, this]() {
      if (!automatic) {
        return std::make_tuple<std::array<double, 3>, std::array<int, 3>,
                               std::array<double, 3>>(
            config.take({"Lattice", "Sizes"}),
            config.take({"Lattice", "Cell_Number"}),
            config.take({"Lattice", "Origin"}));
      } else {
        std::array<double, 3> l_default{20., 20., 20.};
        std::array<int, 3> n_default{10, 10, 10};
        std::array<double, 3> origin_default{-20., -20., -20.};
        if (modus_.is_collider() || (modus_.is_list() && !modus_.is_box())) {
          // Estimates on how far particles could get in x, y, z. The
          // default lattice is currently not contracted for afterburner runs
          const double gam = modus_.is_collider()
                                 ? modus_.sqrt_s_NN() / (2.0 * nucleon_mass)
                                 : 1.0;
          const double max_z = 5.0 / gam + end_time_;
          const double estimated_max_transverse_velocity = 0.7;
          const double max_xy =
              5.0 + estimated_max_transverse_velocity * end_time_;
          origin_default = {-max_xy, -max_xy, -max_z};
          l_default = {2 * max_xy, 2 * max_xy, 2 * max_z};
          // Go for approximately 0.8 fm cell size and contract
          // lattice in z by gamma factor
          const int n_xy = std::ceil(2 * max_xy / 0.8);
          int nz = std::ceil(2 * max_z / 0.8);
          // Contract lattice by gamma factor in case of smearing where
          // smearing length is bound to the lattice cell length
          if (parameters_.smearing_mode == SmearingMode::Discrete ||
              parameters_.smearing_mode == SmearingMode::Triangular) {
            nz = static_cast<int>(std::ceil(2 * max_z / 0.8 * gam));
          }
          n_default = {n_xy, n_xy, nz};
        } else if (modus_.is_box()) {
          origin_default = {0., 0., 0.};
          const double bl = modus_.length();
          l_default = {bl, bl, bl};
          const int n_xyz = std::ceil(bl / 0.5);
          n_default = {n_xyz, n_xyz, n_xyz};
        } else if (modus_.is_sphere()) {
          // Maximal distance from (0, 0, 0) at which a particle
          // may be found at the end of the simulation
          const double max_d = modus_.radius() + end_time_;
          origin_default = {-max_d, -max_d, -max_d};
          l_default = {2 * max_d, 2 * max_d, 2 * max_d};
          // Go for approximately 0.8 fm cell size
          const int n_xyz = std::ceil(2 * max_d / 0.8);
          n_default = {n_xyz, n_xyz, n_xyz};
        }
        // Take lattice properties from config to assign them to all lattices
        return std::make_tuple<std::array<double, 3>, std::array<int, 3>,
                               std::array<double, 3>>(
            config.take({"Lattice", "Sizes"}, l_default),
            config.take({"Lattice", "Cell_Number"}, n_default),
            config.take({"Lattice", "Origin"}, origin_default));
      }
    }();
 
    logg[LExperiment].info()
        << "Lattice is ON. Origin = (" << origin[0] << "," << origin[1] << ","
        << origin[2] << "), sizes = (" << l[0] << "," << l[1] << "," << l[2]
        << "), number of cells = (" << n[0] << "," << n[1] << "," << n[2]
        << "), periodic = " << std::boolalpha << periodic;
 
    if (printout_lattice_td_ || printout_full_lattice_any_td_) {
      dens_type_lattice_printout_ = output_parameters.td_dens_type;
      printout_rho_eckart_ = output_parameters.td_rho_eckart;
      printout_tmn_ = output_parameters.td_tmn;
      printout_tmn_landau_ = output_parameters.td_tmn_landau;
      printout_v_landau_ = output_parameters.td_v_landau;
      printout_j_QBS_ = output_parameters.td_jQBS;
    }
    if (printout_tmn_ || printout_tmn_landau_ || printout_v_landau_) {
      Tmn_ = std::make_unique<RectangularLattice<EnergyMomentumTensor>>(
          l, n, origin, periodic, LatticeUpdate::AtOutput);
    }
    if (printout_j_QBS_) {
      j_QBS_lat_ = std::make_unique<DensityLattice>(l, n, origin, periodic,
                                                    LatticeUpdate::AtOutput);
    }
    /* Create baryon and isospin density lattices regardless of config
       if potentials are on. This is because they allow to compute
       potentials faster */
    if (potentials_) {
      // Create auxiliary lattices for baryon four-current calculation
      old_jmu_auxiliary_ = std::make_unique<RectangularLattice<FourVector>>(
          l, n, origin, periodic, LatticeUpdate::EveryTimestep);
      new_jmu_auxiliary_ = std::make_unique<RectangularLattice<FourVector>>(
          l, n, origin, periodic, LatticeUpdate::EveryTimestep);
      four_gradient_auxiliary_ =
          std::make_unique<RectangularLattice<std::array<FourVector, 4>>>(
              l, n, origin, periodic, LatticeUpdate::EveryTimestep);
 
      if (potentials_->use_skyrme()) {
        jmu_B_lat_ = std::make_unique<DensityLattice>(
            l, n, origin, periodic, LatticeUpdate::EveryTimestep);
        UB_lat_ = std::make_unique<RectangularLattice<FourVector>>(
            l, n, origin, periodic, LatticeUpdate::EveryTimestep);
        FB_lat_ = std::make_unique<
            RectangularLattice<std::pair<ThreeVector, ThreeVector>>>(
            l, n, origin, periodic, LatticeUpdate::EveryTimestep);
      }
      if (potentials_->use_symmetry()) {
        jmu_I3_lat_ = std::make_unique<DensityLattice>(
            l, n, origin, periodic, LatticeUpdate::EveryTimestep);
        UI3_lat_ = std::make_unique<RectangularLattice<FourVector>>(
            l, n, origin, periodic, LatticeUpdate::EveryTimestep);
        FI3_lat_ = std::make_unique<
            RectangularLattice<std::pair<ThreeVector, ThreeVector>>>(
            l, n, origin, periodic, LatticeUpdate::EveryTimestep);
      }
      if (potentials_->use_coulomb()) {
        jmu_el_lat_ = std::make_unique<DensityLattice>(
            l, n, origin, periodic, LatticeUpdate::EveryTimestep);
        EM_lat_ = std::make_unique<
            RectangularLattice<std::pair<ThreeVector, ThreeVector>>>(
            l, n, origin, periodic, LatticeUpdate::EveryTimestep);
      }
      if (potentials_->use_vdf()) {
        jmu_B_lat_ = std::make_unique<DensityLattice>(
            l, n, origin, periodic, LatticeUpdate::EveryTimestep);
        UB_lat_ = std::make_unique<RectangularLattice<FourVector>>(
            l, n, origin, periodic, LatticeUpdate::EveryTimestep);
        FB_lat_ = std::make_unique<
            RectangularLattice<std::pair<ThreeVector, ThreeVector>>>(
            l, n, origin, periodic, LatticeUpdate::EveryTimestep);
      }
      if (parameters_.field_derivatives_mode == FieldDerivativesMode::Direct) {
        // Create auxiliary lattices for field calculation
        old_fields_auxiliary_ =
            std::make_unique<RectangularLattice<FourVector>>(
                l, n, origin, periodic, LatticeUpdate::EveryTimestep);
        new_fields_auxiliary_ =
            std::make_unique<RectangularLattice<FourVector>>(
                l, n, origin, periodic, LatticeUpdate::EveryTimestep);
        fields_four_gradient_auxiliary_ =
            std::make_unique<RectangularLattice<std::array<FourVector, 4>>>(
                l, n, origin, periodic, LatticeUpdate::EveryTimestep);
 
        // Create the fields lattice
        fields_lat_ = std::make_unique<FieldsLattice>(
            l, n, origin, periodic, LatticeUpdate::EveryTimestep);
      }
    }
    if (dens_type_lattice_printout_ == DensityType::Baryon && !jmu_B_lat_) {
      jmu_B_lat_ = std::make_unique<DensityLattice>(l, n, origin, periodic,
                                                    LatticeUpdate::AtOutput);
    }
    if (dens_type_lattice_printout_ == DensityType::BaryonicIsospin &&
        !jmu_I3_lat_) {
      jmu_I3_lat_ = std::make_unique<DensityLattice>(l, n, origin, periodic,
                                                     LatticeUpdate::AtOutput);
    }
    if (dens_type_lattice_printout_ != DensityType::None &&
        dens_type_lattice_printout_ != DensityType::BaryonicIsospin &&
        dens_type_lattice_printout_ != DensityType::Baryon) {
      jmu_custom_lat_ = std::make_unique<DensityLattice>(
          l, n, origin, periodic, LatticeUpdate::AtOutput);
    }
  } else if (printout_lattice_td_ || printout_full_lattice_any_td_) {
    logg[LExperiment].error(
        "If you want Therm. VTK or Lattice output, configure a lattice for "
        "it.");
  } else if (potentials_ && potentials_->use_coulomb()) {
    logg[LExperiment].error(
        "Coulomb potential requires a lattice. Please add one to the "
        "configuration");
  }
 
  // Warning for the mean field calculation if lattice is not on.
  if ((potentials_ != nullptr) && (jmu_B_lat_ == nullptr)) {
    logg[LExperiment].warn() << "Lattice is NOT used. Mean-field energy is "
                             << "not going to be calculated.";
  }
 
  // Store pointers to potential and lattice accessible for Action
  if (parameters_.potential_affect_threshold) {
    UB_lat_pointer = UB_lat_.get();
    UI3_lat_pointer = UI3_lat_.get();
    pot_pointer = potentials_.get();
  }
 
  // Throw fatal if DerivativesMode == FiniteDifference and lattice is not on.
  if ((parameters_.derivatives_mode == DerivativesMode::FiniteDifference) &&
      (jmu_B_lat_ == nullptr)) {
    throw std::runtime_error(
        "Lattice is necessary to calculate finite difference gradients.");
  }
 
  // Create forced thermalizer
  if (config.has_value({"Forced_Thermalization"})) {
    Configuration th_conf =
        config.extract_sub_configuration({"Forced_Thermalization"});
    thermalizer_ = modus_.create_grandcan_thermalizer(th_conf);
  }
 
  /* Take the seed setting only after the configuration was stored to a file
   * in smash.cc */
  seed_ = config.take({"General", "Randomseed"});
}
 
const std::string hline(113, '-');
 
std::string format_measurements(const std::vector<Particles> &ensembles,
                                uint64_t scatterings_this_interval,
                                const QuantumNumbers &conserved_initial,
                                SystemTimePoint time_start, double time,
                                double E_mean_field,
                                double E_mean_field_initial);
double calculate_mean_field_energy(
    const Potentials &potentials,
    RectangularLattice<smash::DensityOnLattice> &jmu_B_lat,
    RectangularLattice<std::pair<ThreeVector, ThreeVector>> *em_lattice,
    const ExperimentParameters &parameters);
 
EventInfo fill_event_info(const std::vector<Particles> &ensembles,
                          double E_mean_field, double modus_impact_parameter,
                          const ExperimentParameters &parameters,
                          bool projectile_target_interact,
                          bool kinematic_cut_for_SMASH_IC);
 
template <typename Modus>
void Experiment<Modus>::initialize_new_event() {
  random::set_seed(seed_);
  logg[LExperiment].info() << "random number seed: " << seed_;
  /* Set seed for the next event. It has to be positive, so it can be entered
   * in the config.
   *
   * We have to be careful about the minimal integer, whose absolute value
   * cannot be represented. */
  int64_t r = random::advance();
  while (r == INT64_MIN) {
    r = random::advance();
  }
  seed_ = std::abs(r);
  /* Set the random seed used in PYTHIA hadronization
   * to be same with the SMASH one.
   * In this way we ensure that the results are reproducible
   * for every event if one knows SMASH random seed. */
  if (process_string_ptr_ != NULL) {
    process_string_ptr_->init_pythia_hadron_rndm();
  }
 
  for (Particles &particles : ensembles_) {
    particles.reset();
  }
 
  // Sample particles according to the initial conditions
  double start_time = -1.0;
 
  // Sample impact parameter only once per all ensembles
  // It should be the same for all ensembles
  if (modus_.is_collider()) {
    modus_.sample_impact();
    logg[LExperiment].info("Impact parameter = ", modus_.impact_parameter(),
                           " fm");
  }
  for (Particles &particles : ensembles_) {
    start_time = modus_.initial_conditions(&particles, parameters_);
  }
  /* For box modus make sure that particles are in the box. In principle, after
   * a correct initialization they should be, so this is just playing it safe.
   */
  for (Particles &particles : ensembles_) {
    modus_.impose_boundary_conditions(&particles, outputs_);
  }
  // Reset the simulation clock
  double timestep = delta_time_startup_;
 
  switch (time_step_mode_) {
    case TimeStepMode::Fixed:
      break;
    case TimeStepMode::None:
      timestep = end_time_ - start_time;
      // Take care of the box modus + timestepless propagation
      const double max_dt = modus_.max_timestep(max_transverse_distance_sqr_);
      if (max_dt > 0. && max_dt < timestep) {
        timestep = max_dt;
      }
      break;
  }
  std::unique_ptr<UniformClock> clock_for_this_event;
  if (modus_.is_list() && (timestep < 0.0)) {
    throw std::runtime_error(
        "Timestep for the given event is negative. \n"
        "This might happen if the formation times of the input particles are "
        "larger than the specified end time of the simulation.");
  }
  clock_for_this_event =
      std::make_unique<UniformClock>(start_time, timestep, end_time_);
  parameters_.labclock = std::move(clock_for_this_event);
 
  // Reset the output clock
  parameters_.outputclock->reset(start_time, true);
  // remove time before starting time in case of custom output times.
  parameters_.outputclock->remove_times_in_past(start_time);
 
  logg[LExperiment].debug(
      "Lab clock: t_start = ", parameters_.labclock->current_time(),
      ", dt = ", parameters_.labclock->timestep_duration());
 
  /* Save the initial conserved quantum numbers and total momentum in
   * the system for conservation checks */
  conserved_initial_ = QuantumNumbers(ensembles_);
  wall_actions_total_ = 0;
  previous_wall_actions_total_ = 0;
  interactions_total_ = 0;
  previous_interactions_total_ = 0;
  discarded_interactions_total_ = 0;
  total_pauli_blocked_ = 0;
  projectile_target_interact_.assign(parameters_.n_ensembles, false);
  total_hypersurface_crossing_actions_ = 0;
  total_energy_removed_ = 0.0;
  total_energy_violated_by_Pythia_ = 0.0;
  // Print output headers
  logg[LExperiment].info() << hline;
  logg[LExperiment].info() << "Time[fm]   Ekin[GeV]   E_MF[GeV]  ETotal[GeV]  "
                           << "ETot/N[GeV]  D(ETot/N)[GeV] Scatt&Decays  "
                           << "Particles     Comp.Time";
  logg[LExperiment].info() << hline;
  double E_mean_field = 0.0;
  if (potentials_) {
    // update_potentials();
    // if (parameters.outputclock->current_time() == 0.0 )
    // using the lattice is necessary
    if ((jmu_B_lat_ != nullptr)) {
      update_lattice(jmu_B_lat_.get(), old_jmu_auxiliary_.get(),
                     new_jmu_auxiliary_.get(), four_gradient_auxiliary_.get(),
                     LatticeUpdate::EveryTimestep, DensityType::Baryon,
                     density_param_, ensembles_,
                     parameters_.labclock->timestep_duration(), true);
      // Because there was no lattice at t=-Delta_t, the time derivatives
      // drho_dt and dj^mu/dt at t=0 are huge, while they shouldn't be; we
      // overwrite the time derivative to zero by hand.
      for (auto &node : *jmu_B_lat_) {
        node.overwrite_drho_dt_to_zero();
        node.overwrite_djmu_dt_to_zero();
      }
      E_mean_field = calculate_mean_field_energy(*potentials_, *jmu_B_lat_,
                                                 EM_lat_.get(), parameters_);
    }
  }
  initial_mean_field_energy_ = E_mean_field;
  logg[LExperiment].info() << format_measurements(
      ensembles_, 0u, conserved_initial_, time_start_,
      parameters_.labclock->current_time(), E_mean_field,
      initial_mean_field_energy_);
 
  // Output at event start
  for (const auto &output : outputs_) {
    for (int i_ens = 0; i_ens < parameters_.n_ensembles; i_ens++) {
      auto event_info = fill_event_info(
          ensembles_, E_mean_field, modus_.impact_parameter(), parameters_,
          projectile_target_interact_[i_ens], kinematic_cuts_for_IC_output_);
      output->at_eventstart(ensembles_[i_ens],
                            // Pretend each ensemble is an independent event
                            event_ * parameters_.n_ensembles + i_ens,
                            event_info);
    }
    // For thermodynamic output
    output->at_eventstart(ensembles_, event_);
    // For thermodynamic lattice output
    if (printout_full_lattice_any_td_) {
      if (printout_rho_eckart_) {
        switch (dens_type_lattice_printout_) {
          case DensityType::Baryon:
            output->at_eventstart(event_, ThermodynamicQuantity::EckartDensity,
                                  DensityType::Baryon, *jmu_B_lat_);
            break;
          case DensityType::BaryonicIsospin:
            output->at_eventstart(event_, ThermodynamicQuantity::EckartDensity,
                                  DensityType::BaryonicIsospin, *jmu_I3_lat_);
            break;
          case DensityType::None:
            break;
          default:
            output->at_eventstart(event_, ThermodynamicQuantity::EckartDensity,
                                  DensityType::BaryonicIsospin,
                                  *jmu_custom_lat_);
        }
      }
      if (printout_tmn_) {
        output->at_eventstart(event_, ThermodynamicQuantity::Tmn,
                              dens_type_lattice_printout_, *Tmn_);
      }
      if (printout_tmn_landau_) {
        output->at_eventstart(event_, ThermodynamicQuantity::TmnLandau,
                              dens_type_lattice_printout_, *Tmn_);
      }
      if (printout_v_landau_) {
        output->at_eventstart(event_, ThermodynamicQuantity::LandauVelocity,
                              dens_type_lattice_printout_, *Tmn_);
      }
      if (printout_j_QBS_) {
        output->at_eventstart(event_, ThermodynamicQuantity::j_QBS,
                              dens_type_lattice_printout_, *j_QBS_lat_);
      }
    }
  }
 
  /* In the ColliderModus, if Fermi motion is frozen, assign the beam momenta
   * to the nucleons in both the projectile and the target. Every ensemble
   * gets the same beam momenta, so no need to create beam_momenta_ vector
   * for every ensemble.
   */
  if (modus_.is_collider() && modus_.fermi_motion() == FermiMotion::Frozen) {
    for (ParticleData &particle : ensembles_[0]) {
      const double m = particle.effective_mass();
      double v_beam = 0.0;
      if (particle.belongs_to() == BelongsTo::Projectile) {
        v_beam = modus_.velocity_projectile();
      } else if (particle.belongs_to() == BelongsTo::Target) {
        v_beam = modus_.velocity_target();
      }
      const double gamma = 1.0 / std::sqrt(1.0 - v_beam * v_beam);
      beam_momentum_.emplace_back(
          FourVector(gamma * m, 0.0, 0.0, gamma * v_beam * m));
    }  // loop over particles
  }
}
 
template <typename Modus>
bool Experiment<Modus>::perform_action(Action &action, int i_ensemble,
                                       bool include_pauli_blocking) {
  Particles &particles = ensembles_[i_ensemble];
  // Make sure to skip invalid and Pauli-blocked actions.
  if (!action.is_valid(particles)) {
    discarded_interactions_total_++;
    logg[LExperiment].debug(~einhard::DRed(), "✘ ", action,
                            " (discarded: invalid)");
    return false;
  }
  try {
    action.generate_final_state();
  } catch (Action::StochasticBelowEnergyThreshold &) {
    return false;
  }
  logg[LExperiment].debug("Process Type is: ", action.get_type());
  if (include_pauli_blocking && pauli_blocker_ &&
      action.is_pauli_blocked(ensembles_, *pauli_blocker_)) {
    total_pauli_blocked_++;
    return false;
  }
 
  // Prepare projectile_target_interact_, it's used for output
  // to signal that there was some interaction in this event
  if (modus_.is_collider()) {
    int count_target = 0, count_projectile = 0;
    for (const auto &incoming : action.incoming_particles()) {
      if (incoming.belongs_to() == BelongsTo::Projectile) {
        count_projectile++;
      } else if (incoming.belongs_to() == BelongsTo::Target) {
        count_target++;
      }
    }
    if (count_target > 0 && count_projectile > 0) {
      projectile_target_interact_[i_ensemble] = true;
    }
  }
 
  /* Make sure to pick a non-zero integer, because 0 is reserved for "no
   * interaction yet". */
  const auto id_process = static_cast<uint32_t>(interactions_total_ + 1);
  // we perform the action and collect possible energy violations by Pythia
  total_energy_violated_by_Pythia_ += action.perform(&particles, id_process);
 
  interactions_total_++;
  if (action.get_type() == ProcessType::Wall) {
    wall_actions_total_++;
  }
  if (action.get_type() == ProcessType::HyperSurfaceCrossing) {
    total_hypersurface_crossing_actions_++;
    total_energy_removed_ += action.incoming_particles()[0].momentum().x0();
  }
  // Calculate Eckart rest frame density at the interaction point
  double rho = 0.0;
  if (dens_type_ != DensityType::None) {
    const FourVector r_interaction = action.get_interaction_point();
    constexpr bool compute_grad = false;
    const bool smearing = true;
    // todo(oliiny): it's a rough density estimate from a single ensemble.
    // It might actually be appropriate for output. Discuss.
    rho = std::get<0>(current_eckart(r_interaction.threevec(), particles,
                                     density_param_, dens_type_, compute_grad,
                                     smearing));
  }
  for (const auto &output : outputs_) {
    if (!output->is_dilepton_output() && !output->is_photon_output()) {
      if (output->is_IC_output() &&
          action.get_type() == ProcessType::HyperSurfaceCrossing) {
        output->at_interaction(action, rho);
      } else if (!output->is_IC_output()) {
        output->at_interaction(action, rho);
      }
    }
  }
 
  // At every collision photons can be produced.
  // Note: We rely here on the lazy evaluation of the arguments to if.
  // It may happen that in a wall-crossing-action sqrt_s raises an exception.
  // Therefore we first have to check if the incoming particles can undergo
  // an em-interaction.
  if (photons_switch_ &&
      ScatterActionPhoton::is_photon_reaction(action.incoming_particles()) &&
      ScatterActionPhoton::is_kinematically_possible(
          action.sqrt_s(), action.incoming_particles())) {
    /* Time in the action constructor is relative to
     * current time of incoming */
    constexpr double action_time = 0.;
    ScatterActionPhoton photon_act(action.incoming_particles(), action_time,
                                   n_fractional_photons_,
                                   action.get_total_weight());
 
    photon_act.add_dummy_hadronic_process(action.get_total_weight());
 
    // Now add the actual photon reaction channel.
    photon_act.add_single_process();
 
    photon_act.perform_photons(outputs_);
  }
 
  if (bremsstrahlung_switch_ &&
      BremsstrahlungAction::is_bremsstrahlung_reaction(
          action.incoming_particles())) {
    /* Time in the action constructor is relative to
     * current time of incoming */
    constexpr double action_time = 0.;
 
    BremsstrahlungAction brems_act(action.incoming_particles(), action_time,
                                   n_fractional_photons_,
                                   action.get_total_weight());
 
    brems_act.add_dummy_hadronic_process(action.get_total_weight());
 
    // Now add the actual bremsstrahlung reaction channel.
    brems_act.add_single_process();
 
    brems_act.perform_bremsstrahlung(outputs_);
  }
 
  logg[LExperiment].debug(~einhard::Green(), "✔ ", action);
  return true;
}
 
void validate_and_adjust_particle_list(ParticleList &particle_list);
 
template <typename Modus>
void Experiment<Modus>::run_time_evolution(const double t_end,
                                           ParticleList &&add_plist,
                                           ParticleList &&remove_plist) {
  if (!add_plist.empty() || !remove_plist.empty()) {
    if (ensembles_.size() > 1) {
      throw std::runtime_error(
          "Adding or removing particles from SMASH is only possible when one "
          "ensemble is used.");
    }
    const double action_time = parameters_.labclock->current_time();
    /* Use two if statements. The first one is to check if the particles are
     * valid. Since this might remove all particles, a second if statement is
     * needed to avoid executing the action in that case.*/
    if (!add_plist.empty()) {
      validate_and_adjust_particle_list(add_plist);
    }
    if (!add_plist.empty()) {
      // Create and perform action to add particle(s)
      auto action_add_particles = std::make_unique<FreeforallAction>(
          ParticleList{}, add_plist, action_time);
      perform_action(*action_add_particles, 0);
    }
    // Also here 2 if statements are needed as above.
    if (!remove_plist.empty()) {
      validate_and_adjust_particle_list(remove_plist);
    }
    if (!remove_plist.empty()) {
      ParticleList found_particles_to_remove;
      for (const auto &particle_to_remove : remove_plist) {
        const auto iterator_to_particle_to_be_removed_in_ensemble =
            std::find_if(
                ensembles_[0].begin(), ensembles_[0].end(),
                [&particle_to_remove, &action_time](const ParticleData &p) {
                  return are_particles_identical_at_given_time(
                      particle_to_remove, p, action_time);
                });
        if (iterator_to_particle_to_be_removed_in_ensemble !=
            ensembles_[0].end())
          found_particles_to_remove.push_back(
              *iterator_to_particle_to_be_removed_in_ensemble);
      }
      // Sort the particles found to be removed according to their id and look
      // for duplicates (sorting is needed to call std::adjacent_find).
      std::sort(found_particles_to_remove.begin(),
                found_particles_to_remove.end(),
                [](const ParticleData &p1, const ParticleData &p2) {
                  return p1.id() < p2.id();
                });
      const auto iterator_to_first_duplicate = std::adjacent_find(
          found_particles_to_remove.begin(), found_particles_to_remove.end(),
          [](const ParticleData &p1, const ParticleData &p2) {
            return p1.id() == p2.id();
          });
      if (iterator_to_first_duplicate != found_particles_to_remove.end()) {
        logg[LExperiment].error() << "The same particle has been asked to be "
                                     "removed multiple times:\n"
                                  << *iterator_to_first_duplicate;
        throw std::logic_error("Particle cannot be removed twice!");
      }
      if (auto delta = remove_plist.size() - found_particles_to_remove.size();
          delta > 0) {
        logg[LExperiment].warn(
            "When trying to remove particle(s) at the beginning ",
            "of the system evolution,\n", delta,
            " particle(s) could not be found and will be ignored.");
      }
      if (!found_particles_to_remove.empty()) {
        [[maybe_unused]] const auto number_particles_before_removal =
            ensembles_[0].size();
        // Create and perform action to remove particles
        auto action_remove_particles = std::make_unique<FreeforallAction>(
            found_particles_to_remove, ParticleList{}, action_time);
        perform_action(*action_remove_particles, 0);
 
        assert(number_particles_before_removal -
                   found_particles_to_remove.size() ==
               ensembles_[0].size());
      }
    }
  }
 
  if (t_end > end_time_) {
    logg[LExperiment].fatal()
        << "Evolution asked to be run until " << t_end << " > " << end_time_
        << " and this cannot be done (because of how the clock works).";
    throw std::logic_error(
        "Experiment cannot evolve the system beyond End_Time.");
  }
  while (*(parameters_.labclock) < t_end) {
    const double dt = parameters_.labclock->timestep_duration();
    logg[LExperiment].debug("Timestepless propagation for next ", dt, " fm.");
 
    // Perform forced thermalization if required
    if (thermalizer_ &&
        thermalizer_->is_time_to_thermalize(parameters_.labclock)) {
      const bool ignore_cells_under_treshold = true;
      // Thermodynamics in thermalizer is computed from all ensembles,
      // but thermalization actions act on each ensemble independently
      thermalizer_->update_thermalizer_lattice(ensembles_, density_param_,
                                               ignore_cells_under_treshold);
      const double current_t = parameters_.labclock->current_time();
      for (int i_ens = 0; i_ens < parameters_.n_ensembles; i_ens++) {
        thermalizer_->thermalize(ensembles_[i_ens], current_t,
                                 parameters_.testparticles);
        ThermalizationAction th_act(*thermalizer_, current_t);
        if (th_act.any_particles_thermalized()) {
          perform_action(th_act, i_ens);
        }
      }
    }
 
    std::vector<Actions> actions(parameters_.n_ensembles);
    for (int i_ens = 0; i_ens < parameters_.n_ensembles; i_ens++) {
      actions[i_ens].clear();
      if (ensembles_[i_ens].size() > 0 && action_finders_.size() > 0) {
        /* (1.a) Create grid. */
        const double min_cell_length = compute_min_cell_length(dt);
        logg[LExperiment].debug("Creating grid with minimal cell length ",
                                min_cell_length);
        /* For the hyper-surface-crossing actions also unformed particles are
         * searched and therefore needed on the grid. */
        const bool include_unformed_particles = IC_output_switch_;
        const auto &grid =
            use_grid_ ? modus_.create_grid(ensembles_[i_ens], min_cell_length,
                                           dt, parameters_.coll_crit,
                                           include_unformed_particles)
                      : modus_.create_grid(ensembles_[i_ens], min_cell_length,
                                           dt, parameters_.coll_crit,
                                           include_unformed_particles,
                                           CellSizeStrategy::Largest);
 
        const double gcell_vol = grid.cell_volume();
        /* (1.b) Iterate over cells and find actions. */
        grid.iterate_cells(
            [&](const ParticleList &search_list) {
              for (const auto &finder : action_finders_) {
                actions[i_ens].insert(finder->find_actions_in_cell(
                    search_list, dt, gcell_vol, beam_momentum_));
              }
            },
            [&](const ParticleList &search_list,
                const ParticleList &neighbors_list) {
              for (const auto &finder : action_finders_) {
                actions[i_ens].insert(finder->find_actions_with_neighbors(
                    search_list, neighbors_list, dt, beam_momentum_));
              }
            });
      }
    }
 
    /* \todo (optimizations) Adapt timestep size here */
 
    /* (2) Propagate from action to action until next output or timestep end */
    const double end_timestep_time = parameters_.labclock->next_time();
    while (next_output_time() < end_timestep_time) {
      for (int i_ens = 0; i_ens < parameters_.n_ensembles; i_ens++) {
        run_time_evolution_timestepless(actions[i_ens], i_ens,
                                        next_output_time());
      }
      ++(*parameters_.outputclock);
 
      intermediate_output();
    }
    for (int i_ens = 0; i_ens < parameters_.n_ensembles; i_ens++) {
      run_time_evolution_timestepless(actions[i_ens], i_ens, end_timestep_time);
    }
 
    /* (3) Update potentials (if computed on the lattice) and
     *     compute new momenta according to equations of motion */
    if (potentials_) {
      update_potentials();
      update_momenta(ensembles_, parameters_.labclock->timestep_duration(),
                     *potentials_, FB_lat_.get(), FI3_lat_.get(), EM_lat_.get(),
                     jmu_B_lat_.get());
    }
 
    /* (4) Expand universe if non-minkowskian metric; updates
     *     positions and momenta according to the selected expansion */
    if (metric_.mode_ != ExpansionMode::NoExpansion) {
      for (Particles &particles : ensembles_) {
        expand_space_time(&particles, parameters_, metric_);
      }
    }
 
    ++(*parameters_.labclock);
 
    /* (5) Check conservation laws.
     *
     * Check conservation of conserved quantities if potentials and string
     * fragmentation are off.  If potentials are on then momentum is conserved
     * only in average.  If string fragmentation is on, then energy and
     * momentum are only very roughly conserved in high-energy collisions. */
    if (!potentials_ && !parameters_.strings_switch &&
        metric_.mode_ == ExpansionMode::NoExpansion && !IC_output_switch_) {
      std::string err_msg = conserved_initial_.report_deviations(ensembles_);
      if (!err_msg.empty()) {
        logg[LExperiment].error() << err_msg;
        throw std::runtime_error("Violation of conserved quantities!");
      }
    }
  }
 
  if (pauli_blocker_) {
    logg[LExperiment].info(
        "Interactions: Pauli-blocked/performed = ", total_pauli_blocked_, "/",
        interactions_total_ - wall_actions_total_);
  }
}
 
template <typename Modus>
void Experiment<Modus>::propagate_and_shine(double to_time,
                                            Particles &particles) {
  const double dt =
      propagate_straight_line(&particles, to_time, beam_momentum_);
  if (dilepton_finder_ != nullptr) {
    for (const auto &output : outputs_) {
      dilepton_finder_->shine(particles, output.get(), dt);
    }
  }
}
 
inline void check_interactions_total(uint64_t interactions_total) {
  constexpr uint64_t max_uint32 = std::numeric_limits<uint32_t>::max();
  if (interactions_total >= max_uint32) {
    throw std::runtime_error("Integer overflow in total interaction number!");
  }
}
 
template <typename Modus>
void Experiment<Modus>::run_time_evolution_timestepless(
    Actions &actions, int i_ensemble, const double end_time_propagation) {
  Particles &particles = ensembles_[i_ensemble];
  logg[LExperiment].debug(
      "Timestepless propagation: ", "Actions size = ", actions.size(),
      ", end time = ", end_time_propagation);
 
  // iterate over all actions
  while (!actions.is_empty()) {
    if (actions.earliest_time() > end_time_propagation) {
      break;
    }
    // get next action
    ActionPtr act = actions.pop();
    if (!act->is_valid(particles)) {
      discarded_interactions_total_++;
      logg[LExperiment].debug(~einhard::DRed(), "✘ ", act,
                              " (discarded: invalid)");
      continue;
    }
    logg[LExperiment].debug(~einhard::Green(), "✔ ", act,
                            ", action time = ", act->time_of_execution());
 
    /* (1) Propagate to the next action. */
    propagate_and_shine(act->time_of_execution(), particles);
 
    /* (2) Perform action.
     *
     * Update the positions of the incoming particles, because the information
     * in the action object will be outdated as the particles have been
     * propagated since the construction of the action. */
    act->update_incoming(particles);
    const bool performed = perform_action(*act, i_ensemble);
 
    /* No need to update actions for outgoing particles
     * if the action is not performed. */
    if (!performed) {
      continue;
    }
 
    /* (3) Update actions for newly-produced particles. */
 
    const double end_time_timestep = parameters_.labclock->next_time();
    // New actions are always search until the end of the current timestep
    const double time_left = end_time_timestep - act->time_of_execution();
    const ParticleList &outgoing_particles = act->outgoing_particles();
    // Grid cell volume set to zero, since there is no grid
    const double gcell_vol = 0.0;
    for (const auto &finder : action_finders_) {
      // Outgoing particles can still decay, cross walls...
      actions.insert(finder->find_actions_in_cell(outgoing_particles, time_left,
                                                  gcell_vol, beam_momentum_));
      // ... and collide with other particles.
      actions.insert(finder->find_actions_with_surrounding_particles(
          outgoing_particles, particles, time_left, beam_momentum_));
    }
 
    check_interactions_total(interactions_total_);
  }
 
  propagate_and_shine(end_time_propagation, particles);
}
 
template <typename Modus>
void Experiment<Modus>::intermediate_output() {
  const uint64_t wall_actions_this_interval =
      wall_actions_total_ - previous_wall_actions_total_;
  previous_wall_actions_total_ = wall_actions_total_;
  const uint64_t interactions_this_interval = interactions_total_ -
                                              previous_interactions_total_ -
                                              wall_actions_this_interval;
  previous_interactions_total_ = interactions_total_;
  double E_mean_field = 0.0;
  double computational_frame_time = 0.0;
  if (potentials_) {
    // using the lattice is necessary
    if ((jmu_B_lat_ != nullptr)) {
      E_mean_field = calculate_mean_field_energy(*potentials_, *jmu_B_lat_,
                                                 EM_lat_.get(), parameters_);
      /*
       * Mean field calculated in a box should remain approximately constant if
       * the system is in equilibrium, and so deviations from its original value
       * may signal a phase transition or other dynamical process. This
       * comparison only makes sense in the Box Modus, hence the condition.
       */
      if (modus_.is_box()) {
        double tmp = (E_mean_field - initial_mean_field_energy_) /
                     (E_mean_field + initial_mean_field_energy_);
        /*
         * This is displayed when the system evolves away from its initial
         * configuration (which is when the total mean field energy in the box
         *  deviates from its initial value).
         */
        if (std::abs(tmp) > 0.01) {
          logg[LExperiment].info()
              << "\n\n\n\t The mean field at t = "
              << parameters_.outputclock->current_time()
              << " [fm] differs from the mean field at t = 0:"
              << "\n\t\t                 initial_mean_field_energy_ = "
              << initial_mean_field_energy_ << " [GeV]"
              << "\n\t\t abs[(E_MF - E_MF(t=0))/(E_MF + E_MF(t=0))] = "
              << std::abs(tmp)
              << "\n\t\t                             E_MF/E_MF(t=0) = "
              << E_mean_field / initial_mean_field_energy_ << "\n\n";
        }
      }
    }
  }
 
  logg[LExperiment].info() << format_measurements(
      ensembles_, interactions_this_interval, conserved_initial_, time_start_,
      parameters_.outputclock->current_time(), E_mean_field,
      initial_mean_field_energy_);
  const LatticeUpdate lat_upd = LatticeUpdate::AtOutput;
 
  // save evolution data
  if (!(modus_.is_box() && parameters_.outputclock->current_time() <
                               modus_.equilibration_time())) {
    for (const auto &output : outputs_) {
      if (output->is_dilepton_output() || output->is_photon_output() ||
          output->is_IC_output()) {
        continue;
      }
      for (int i_ens = 0; i_ens < parameters_.n_ensembles; i_ens++) {
        auto event_info = fill_event_info(
            ensembles_, E_mean_field, modus_.impact_parameter(), parameters_,
            projectile_target_interact_[i_ens], kinematic_cuts_for_IC_output_);
 
        output->at_intermediate_time(ensembles_[i_ens], parameters_.outputclock,
                                     density_param_, event_info);
        computational_frame_time = event_info.current_time;
      }
      // For thermodynamic output
      output->at_intermediate_time(ensembles_, parameters_.outputclock,
                                   density_param_);
 
      // Thermodynamic output on the lattice versus time
      if (printout_rho_eckart_) {
        switch (dens_type_lattice_printout_) {
          case DensityType::Baryon:
            update_lattice(jmu_B_lat_.get(), lat_upd, DensityType::Baryon,
                           density_param_, ensembles_, false);
            output->thermodynamics_output(ThermodynamicQuantity::EckartDensity,
                                          DensityType::Baryon, *jmu_B_lat_);
            output->thermodynamics_lattice_output(*jmu_B_lat_,
                                                  computational_frame_time);
            break;
          case DensityType::BaryonicIsospin:
            update_lattice(jmu_I3_lat_.get(), lat_upd,
                           DensityType::BaryonicIsospin, density_param_,
                           ensembles_, false);
            output->thermodynamics_output(ThermodynamicQuantity::EckartDensity,
                                          DensityType::BaryonicIsospin,
                                          *jmu_I3_lat_);
            output->thermodynamics_lattice_output(*jmu_I3_lat_,
                                                  computational_frame_time);
            break;
          case DensityType::None:
            break;
          default:
            update_lattice(jmu_custom_lat_.get(), lat_upd,
                           dens_type_lattice_printout_, density_param_,
                           ensembles_, false);
            output->thermodynamics_output(ThermodynamicQuantity::EckartDensity,
                                          dens_type_lattice_printout_,
                                          *jmu_custom_lat_);
            output->thermodynamics_lattice_output(*jmu_custom_lat_,
                                                  computational_frame_time);
        }
      }
      if (printout_tmn_ || printout_tmn_landau_ || printout_v_landau_) {
        update_lattice(Tmn_.get(), lat_upd, dens_type_lattice_printout_,
                       density_param_, ensembles_, false);
        if (printout_tmn_) {
          output->thermodynamics_output(ThermodynamicQuantity::Tmn,
                                        dens_type_lattice_printout_, *Tmn_);
          output->thermodynamics_lattice_output(
              ThermodynamicQuantity::Tmn, *Tmn_, computational_frame_time);
        }
        if (printout_tmn_landau_) {
          output->thermodynamics_output(ThermodynamicQuantity::TmnLandau,
                                        dens_type_lattice_printout_, *Tmn_);
          output->thermodynamics_lattice_output(
              ThermodynamicQuantity::TmnLandau, *Tmn_,
              computational_frame_time);
        }
        if (printout_v_landau_) {
          output->thermodynamics_output(ThermodynamicQuantity::LandauVelocity,
                                        dens_type_lattice_printout_, *Tmn_);
          output->thermodynamics_lattice_output(
              ThermodynamicQuantity::LandauVelocity, *Tmn_,
              computational_frame_time);
        }
      }
      if (EM_lat_) {
        output->fields_output("Efield", "Bfield", *EM_lat_);
      }
      if (printout_j_QBS_) {
        output->thermodynamics_lattice_output(
            *j_QBS_lat_, computational_frame_time, ensembles_, density_param_);
      }
 
      if (thermalizer_) {
        output->thermodynamics_output(*thermalizer_);
      }
    }
  }
}
 
template <typename Modus>
void Experiment<Modus>::update_potentials() {
  if (potentials_) {
    if (potentials_->use_symmetry() && jmu_I3_lat_ != nullptr) {
      update_lattice(jmu_I3_lat_.get(), old_jmu_auxiliary_.get(),
                     new_jmu_auxiliary_.get(), four_gradient_auxiliary_.get(),
                     LatticeUpdate::EveryTimestep, DensityType::BaryonicIsospin,
                     density_param_, ensembles_,
                     parameters_.labclock->timestep_duration(), true);
    }
    if ((potentials_->use_skyrme() || potentials_->use_symmetry()) &&
        jmu_B_lat_ != nullptr) {
      update_lattice(jmu_B_lat_.get(), old_jmu_auxiliary_.get(),
                     new_jmu_auxiliary_.get(), four_gradient_auxiliary_.get(),
                     LatticeUpdate::EveryTimestep, DensityType::Baryon,
                     density_param_, ensembles_,
                     parameters_.labclock->timestep_duration(), true);
      const size_t UBlattice_size = UB_lat_->size();
      for (size_t i = 0; i < UBlattice_size; i++) {
        auto jB = (*jmu_B_lat_)[i];
        const FourVector flow_four_velocity_B =
            std::abs(jB.rho()) > very_small_double ? jB.jmu_net() / jB.rho()
                                                   : FourVector();
        double baryon_density = jB.rho();
        ThreeVector baryon_grad_j0 = jB.grad_j0();
        ThreeVector baryon_dvecj_dt = jB.dvecj_dt();
        ThreeVector baryon_curl_vecj = jB.curl_vecj();
        if (potentials_->use_skyrme()) {
          (*UB_lat_)[i] =
              flow_four_velocity_B * potentials_->skyrme_pot(baryon_density);
          (*FB_lat_)[i] =
              potentials_->skyrme_force(baryon_density, baryon_grad_j0,
                                        baryon_dvecj_dt, baryon_curl_vecj);
        }
        if (potentials_->use_symmetry() && jmu_I3_lat_ != nullptr) {
          auto jI3 = (*jmu_I3_lat_)[i];
          const FourVector flow_four_velocity_I3 =
              std::abs(jI3.rho()) > very_small_double
                  ? jI3.jmu_net() / jI3.rho()
                  : FourVector();
          (*UI3_lat_)[i] = flow_four_velocity_I3 *
                           potentials_->symmetry_pot(jI3.rho(), baryon_density);
          (*FI3_lat_)[i] = potentials_->symmetry_force(
              jI3.rho(), jI3.grad_j0(), jI3.dvecj_dt(), jI3.curl_vecj(),
              baryon_density, baryon_grad_j0, baryon_dvecj_dt,
              baryon_curl_vecj);
        }
      }
    }
    if (potentials_->use_coulomb()) {
      update_lattice(jmu_el_lat_.get(), LatticeUpdate::EveryTimestep,
                     DensityType::Charge, density_param_, ensembles_, true);
      for (size_t i = 0; i < EM_lat_->size(); i++) {
        ThreeVector electric_field = {0., 0., 0.};
        ThreeVector position = jmu_el_lat_->cell_center(i);
        jmu_el_lat_->integrate_volume(electric_field,
                                      Potentials::E_field_integrand,
                                      potentials_->coulomb_r_cut(), position);
        ThreeVector magnetic_field = {0., 0., 0.};
        jmu_el_lat_->integrate_volume(magnetic_field,
                                      Potentials::B_field_integrand,
                                      potentials_->coulomb_r_cut(), position);
        (*EM_lat_)[i] = std::make_pair(electric_field, magnetic_field);
      }
    }  // if ((potentials_->use_skyrme() || ...
    if (potentials_->use_vdf() && jmu_B_lat_ != nullptr) {
      update_lattice(jmu_B_lat_.get(), old_jmu_auxiliary_.get(),
                     new_jmu_auxiliary_.get(), four_gradient_auxiliary_.get(),
                     LatticeUpdate::EveryTimestep, DensityType::Baryon,
                     density_param_, ensembles_,
                     parameters_.labclock->timestep_duration(), true);
      if (parameters_.field_derivatives_mode == FieldDerivativesMode::Direct) {
        update_fields_lattice(
            fields_lat_.get(), old_fields_auxiliary_.get(),
            new_fields_auxiliary_.get(), fields_four_gradient_auxiliary_.get(),
            jmu_B_lat_.get(), LatticeUpdate::EveryTimestep, *potentials_,
            parameters_.labclock->timestep_duration());
      }
      const size_t UBlattice_size = UB_lat_->size();
      for (size_t i = 0; i < UBlattice_size; i++) {
        auto jB = (*jmu_B_lat_)[i];
        (*UB_lat_)[i] = potentials_->vdf_pot(jB.rho(), jB.jmu_net());
        switch (parameters_.field_derivatives_mode) {
          case FieldDerivativesMode::ChainRule:
            (*FB_lat_)[i] = potentials_->vdf_force(
                jB.rho(), jB.drho_dxnu().x0(), jB.drho_dxnu().threevec(),
                jB.grad_rho_cross_vecj(), jB.jmu_net().x0(), jB.grad_j0(),
                jB.jmu_net().threevec(), jB.dvecj_dt(), jB.curl_vecj());
            break;
          case FieldDerivativesMode::Direct:
            auto Amu = (*fields_lat_)[i];
            (*FB_lat_)[i] = potentials_->vdf_force(
                Amu.grad_A0(), Amu.dvecA_dt(), Amu.curl_vecA());
            break;
        }
      }  // for (size_t i = 0; i < UBlattice_size; i++)
    }    // if potentials_->use_vdf()
  }
}
 
template <typename Modus>
void Experiment<Modus>::do_final_decays() {
  /* At end of time evolution: Force all resonances to decay. In order to handle
   * decay chains, we need to loop until no further actions occur. */
  bool actions_performed, decays_found;
  uint64_t interactions_old;
  do {
    decays_found = false;
    interactions_old = interactions_total_;
    for (int i_ens = 0; i_ens < parameters_.n_ensembles; i_ens++) {
      Actions actions;
 
      // Dileptons: shining of remaining resonances
      if (dilepton_finder_ != nullptr) {
        for (const auto &output : outputs_) {
          dilepton_finder_->shine_final(ensembles_[i_ens], output.get(), true);
        }
      }
      // Find actions.
      for (const auto &finder : action_finders_) {
        auto found_actions = finder->find_final_actions(ensembles_[i_ens]);
        if (!found_actions.empty()) {
          actions.insert(std::move(found_actions));
          decays_found = true;
        }
      }
      // Perform actions.
      while (!actions.is_empty()) {
        perform_action(*actions.pop(), i_ens, false);
      }
    }
    actions_performed = interactions_total_ > interactions_old;
    // Throw an error if actions were found but not performed
    if (decays_found && !actions_performed) {
      throw std::runtime_error("Final decays were found but not performed.");
    }
    // loop until no more decays occur
  } while (actions_performed);
 
  // Dileptons: shining of stable particles at the end
  if (dilepton_finder_ != nullptr) {
    for (const auto &output : outputs_) {
      for (Particles &particles : ensembles_) {
        dilepton_finder_->shine_final(particles, output.get(), false);
      }
    }
  }
}
 
template <typename Modus>
void Experiment<Modus>::final_output() {
  /* make sure the experiment actually ran (note: we should compare this
   * to the start time, but we don't know that. Therefore, we check that
   * the time is positive, which should heuristically be the same). */
  double E_mean_field = 0.0;
  if (likely(parameters_.labclock > 0)) {
    const uint64_t wall_actions_this_interval =
        wall_actions_total_ - previous_wall_actions_total_;
    const uint64_t interactions_this_interval = interactions_total_ -
                                                previous_interactions_total_ -
                                                wall_actions_this_interval;
    if (potentials_) {
      // using the lattice is necessary
      if ((jmu_B_lat_ != nullptr)) {
        E_mean_field = calculate_mean_field_energy(*potentials_, *jmu_B_lat_,
                                                   EM_lat_.get(), parameters_);
      }
    }
    if (std::abs(parameters_.labclock->current_time() - end_time_) >
        really_small) {
      logg[LExperiment].warn()
          << "SMASH not propagated until configured end time. Current time = "
          << parameters_.labclock->current_time()
          << "fm. End time = " << end_time_ << "fm.";
    } else {
      logg[LExperiment].info() << format_measurements(
          ensembles_, interactions_this_interval, conserved_initial_,
          time_start_, end_time_, E_mean_field, initial_mean_field_energy_);
    }
    int total_particles = 0;
    for (const Particles &particles : ensembles_) {
      total_particles += particles.size();
    }
    if (IC_output_switch_ && (total_particles == 0)) {
      const double initial_system_energy_plus_Pythia_violations =
          conserved_initial_.momentum().x0() + total_energy_violated_by_Pythia_;
      const double fraction_of_total_system_energy_removed =
          initial_system_energy_plus_Pythia_violations / total_energy_removed_;
      // Verify there is no more energy in the system if all particles were
      // removed when crossing the hypersurface
      if (std::fabs(fraction_of_total_system_energy_removed - 1.) >
          really_small) {
        throw std::runtime_error(
            "There is remaining energy in the system although all particles "
            "were removed.\n"
            "E_remain = " +
            std::to_string((initial_system_energy_plus_Pythia_violations -
                            total_energy_removed_)) +
            " [GeV]");
      } else {
        logg[LExperiment].info() << hline;
        logg[LExperiment].info()
            << "Time real: " << SystemClock::now() - time_start_;
        logg[LExperiment].info()
            << "Interactions before reaching hypersurface: "
            << interactions_total_ - wall_actions_total_ -
                   total_hypersurface_crossing_actions_;
        logg[LExperiment].info()
            << "Total number of particles removed on hypersurface: "
            << total_hypersurface_crossing_actions_;
      }
    } else {
      const double precent_discarded =
          interactions_total_ > 0
              ? static_cast<double>(discarded_interactions_total_) * 100.0 /
                    interactions_total_
              : 0.0;
      std::stringstream msg_discarded;
      msg_discarded
          << "Discarded interaction number: " << discarded_interactions_total_
          << " (" << precent_discarded
          << "% of the total interaction number including wall crossings)";
 
      logg[LExperiment].info() << hline;
      logg[LExperiment].info()
          << "Time real: " << SystemClock::now() - time_start_;
      logg[LExperiment].debug() << msg_discarded.str();
 
      if (parameters_.coll_crit == CollisionCriterion::Stochastic &&
          precent_discarded > 1.0) {
        // The choosen threshold of 1% is a heuristical value
        logg[LExperiment].warn()
            << msg_discarded.str()
            << "\nThe number of discarded interactions is large, which means "
               "the assumption for the stochastic criterion of\n1 interaction "
               "per particle per timestep is probably violated. Consider "
               "reducing the timestep size.";
      }
 
      logg[LExperiment].info() << "Final interaction number: "
                               << interactions_total_ - wall_actions_total_;
    }
 
    // Check if there are unformed particles
    int unformed_particles_count = 0;
    for (const Particles &particles : ensembles_) {
      for (const ParticleData &particle : particles) {
        if (particle.formation_time() > end_time_) {
          unformed_particles_count++;
        }
      }
    }
    if (unformed_particles_count > 0) {
      logg[LExperiment].warn(
          "End time might be too small. ", unformed_particles_count,
          " unformed particles were found at the end of the evolution.");
    }
  }
 
  // Keep track of how many ensembles had interactions
  count_nonempty_ensembles();
 
  for (const auto &output : outputs_) {
    for (int i_ens = 0; i_ens < parameters_.n_ensembles; i_ens++) {
      auto event_info = fill_event_info(
          ensembles_, E_mean_field, modus_.impact_parameter(), parameters_,
          projectile_target_interact_[i_ens], kinematic_cuts_for_IC_output_);
      output->at_eventend(ensembles_[i_ens],
                          // Pretend each ensemble is an independent event
                          event_ * parameters_.n_ensembles + i_ens, event_info);
    }
    // For thermodynamic output
    output->at_eventend(ensembles_, event_);
 
    // For thermodynamic lattice output
    if (printout_rho_eckart_) {
      if (dens_type_lattice_printout_ != DensityType::None) {
        output->at_eventend(event_, ThermodynamicQuantity::EckartDensity,
                            dens_type_lattice_printout_);
        output->at_eventend(ThermodynamicQuantity::EckartDensity);
      }
    }
    if (printout_tmn_) {
      output->at_eventend(event_, ThermodynamicQuantity::Tmn,
                          dens_type_lattice_printout_);
      output->at_eventend(ThermodynamicQuantity::Tmn);
    }
    if (printout_tmn_landau_) {
      output->at_eventend(event_, ThermodynamicQuantity::TmnLandau,
                          dens_type_lattice_printout_);
      output->at_eventend(ThermodynamicQuantity::TmnLandau);
    }
    if (printout_v_landau_) {
      output->at_eventend(event_, ThermodynamicQuantity::LandauVelocity,
                          dens_type_lattice_printout_);
      output->at_eventend(ThermodynamicQuantity::LandauVelocity);
    }
    if (printout_j_QBS_) {
      output->at_eventend(ThermodynamicQuantity::j_QBS);
    }
  }
}
 
template <typename Modus>
void Experiment<Modus>::count_nonempty_ensembles() {
  for (bool has_interaction : projectile_target_interact_) {
    if (has_interaction) {
      nonempty_ensembles_++;
    }
  }
}
 
template <typename Modus>
bool Experiment<Modus>::is_finished() {
  if (event_counting_ == EventCounting::FixedNumber) {
    return event_ >= nevents_;
  }
  if (event_counting_ == EventCounting::MinimumNonEmpty) {
    if (nonempty_ensembles_ >= minimum_nonempty_ensembles_) {
      return true;
    }
    if (event_ >= max_events_) {
      logg[LExperiment].warn()
          << "Maximum number of events (" << max_events_
          << ") exceeded. Stopping calculation. "
          << "The fraction of empty ensembles is "
          << (1.0 - static_cast<double>(nonempty_ensembles_) /
                        (event_ * parameters_.n_ensembles))
          << ". If this fraction is expected, try increasing the "
             "Maximum_Ensembles_Run.";
      return true;
    }
    return false;
  }
  throw std::runtime_error("Event counting option is invalid");
  return false;
}
 
template <typename Modus>
void Experiment<Modus>::increase_event_number() {
  event_++;
}
 
template <typename Modus>
void Experiment<Modus>::run() {
  const auto &mainlog = logg[LMain];
  for (event_ = 0; !is_finished(); event_++) {
    mainlog.info() << "Event " << event_;
 
    // Sample initial particles, start clock, some printout and book-keeping
    initialize_new_event();
 
    run_time_evolution(end_time_);
 
    if (force_decays_) {
      do_final_decays();
    }
 
    // Output at event end
    final_output();
  }
}
 
}  // namespace smash
 
#endif  // SRC_INCLUDE_SMASH_EXPERIMENT_H_