# keywords: YOCP, Yukawa, P3M, mks, random_no_reject
Particles:
    - Species:
        name: H                                     # REQUIRED
        num: 10000                                  # REQUIRED
        Z: 1.0                                      # REQUIRED/OVERWRITTEN if charge is used
        # charge: 1.602177e-19                      # REQUIRED unless Z is used.
        number_density: 1.62e+32                    # REQUIRED/OPTIONAL if mass_density is used
        mass: 1.673e-27                             # REQUIRED/OPTIONAL if mass_density is used
        # atomic_weight: 1.0                        # OPTIONAL/REQUIRED if mass_density is used
        # mass_density: 2.710260e+05
        temperature_eV: 0.5                         # REQUIRED/OPTIONAL if temperature is used
        # temperature:  5.802259e+03                # REQUIRED/OPTIONAL if temperature_eV is used
        initial_velocity_distribution: boltzmann    # OPTIONAL

Potential:
    type: Yukawa                            # REQUIRED
    screening_length_type: "thomas-fermi"   # REQUIRED for screened potentials
    electron_temperature_eV: 1.25e+3        # REQUIRED if 'thomas-fermi' type
    method: pppm                            # REQUIRED
    rc: 6.2702e-11                          # REQUIRED
    pppm_mesh: [64, 64, 64]                 # REQUIRED
    pppm_aliases: [3,3,3]                   # REQUIRED
    pppm_cao: 6                             # REQUIRED
    pppm_alpha_ewald: 5.4659e+10            # REQUIRED

Integrator:
    dt: 2.000e-18                       # REQUIRED
    equilibration_type: verlet          # REQUIRED
    production_type: verlet             # REQUIRED
    boundary_conditions: periodic       # REQUIRED
    thermalization: yes                 # OPTIONAL. Default = yes
    thermostat_type: Berendsen          # REQUIRED if thermalization is yes
    thermalization_timestep: 50         # REQUIRED if thermalization is yes
    berendsen_tau: 1.0                  # REQUIRED if thermostat: berendsen
    thermostate_temperatures_eV: 0.5    # OPTIONAL Default = Species.temperature_eV

Parameters:
    units: mks                          # REQUIRED
    load_method: random_no_reject       # REQUIRED
    equilibration_steps: 5000           # REQUIRED
    production_steps: 5000              # REQUIRED
    eq_dump_step: 10                    # REQUIRED
    prod_dump_step: 10                  # REQUIRED

IO:
    verbose: yes                        # OPTIONAL. Default is yes
    simulations_dir: Simulations        # OPTIONAL. Default is Simulations
    job_dir: yocp_pppm                  # REQUIRED
    job_id: yocp                        # OPTIONAL. Default is the job_dir values

Observables:
  - RadialDistributionFunction:
      no_bins: 500

  - Thermodynamics:
      phase: production

  - DynamicStructureFactor:
      no_slices: 1
      max_ka_value: 8

  - StaticStructureFactor:
      max_ka_value: 8

  - CurrentCorrelationFunction:
      max_ka_value: 8

TransportCoefficientss:
    - Diffusion:
        time_averaging: False