# J.P. Hansen and I.R. McDonald Phys Rev A 23 2041 (1981) Particles: - Species: name: e number_density: 1.6e+24 # N/cc mass: 9.1093837015e-28 # g, electron mass num: 1024 Z: -1.0 # degree of ionization temperature: 6.32e+5 - Species: name: p number_density: 1.6e+24 # N/cc mass: 1.67262192369e-24 # g num: 1024 # total number of particles of ion1 Z: 1.0 # degree of ionization temperature: 6.32e+5 Potential: type: QSP # potential type qsp_type: Deutsch method: pppm rc: 3.119964e-08 # cut-off radius, cm pppm_mesh: [32,32,32] pppm_aliases: [3,3,3] pppm_cao: 6 pppm_alpha_ewald: 9.466103e+07 Integrator: type: verlet dt: 7.0208e-20 # sec equilibration_steps: 100000 eq_dump_step: 10 production_steps: 400000 prod_dump_step: 6 Thermostat: type: Berendsen # thermostat type relaxation_timestep: 500 berendsen_tau: 5.0 Parameters: units: cgs # units load_method: random_reject load_rejection_radius: 10.0e-10 IO: verbose: True job_dir: qsp_cgs # dir name to save data. Observables: - Thermodynamics: phase: production - RadialDistributionFunction: no_bins: 51 - StaticStructureFactor: max_k_harmonics: 5