md_environment_types.F File Reference

#include "../base/base_uses.f90"

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Data Types
type	md_environment_types::md_environment_type

Modules
module	md_environment_types

Functions/Subroutines
subroutine, public	md_environment_types::md_env_create (md_env, md_section, para_env, force_env)
	Creates MD environment Purpose: Initialise the integrator environment. retain the para_env for this environment (should be used for parallel communications)
subroutine, public	md_environment_types::md_env_release (md_env)
	releases the given md env
subroutine, public	md_environment_types::get_md_env (md_env, itimes, constant, used_time, cell, simpar, npt, force_env, para_env, reftraj, t, init, first_time, fe_env, thermostats, barostat, thermostat_coeff, thermostat_part, thermostat_shell, thermostat_baro, thermostat_fast, thermostat_slow, md_ener, averages, thermal_regions, ehrenfest_md)
	get components of MD environment type
subroutine, public	md_environment_types::set_md_env (md_env, itimes, constant, cell, simpar, fe_env, force_env, para_env, init, first_time, thermostats, barostat, reftraj, md_ener, averages, thermal_regions, ehrenfest_md)
	Set the integrator environment to the correct program.
pure logical function, public	md_environment_types::need_per_atom_wiener_process (md_env)
	...