perform classical molecular dynamics and path integral simulations More...

Functions/Subroutines
subroutine, public	fist_create_force_env (force_env, root_section, para_env, globenv, qmmm, qmmm_env, force_env_section, subsys_section, use_motion_section, prev_subsys)
	Controls program flow for classical MD and path-integrals.

Detailed Description

perform classical molecular dynamics and path integral simulations

History: gt SEPT-23-2002: part is allocated/deallocated/initialized in read_coord_vel CJM rewrite

Function/Subroutine Documentation

subroutine, public fist_main::fist_create_force_env	(	type(force_env_type), pointer	force_env,
		type(section_vals_type), pointer	root_section,
		type(mp_para_env_type), pointer	para_env,
		type(global_environment_type), pointer	globenv,
		logical, optional	qmmm,
		type(qmmm_env_mm_type), optional, pointer	qmmm_env,
		type(section_vals_type), pointer	force_env_section,
		type(section_vals_type), pointer	subsys_section,
		logical, intent(in)	use_motion_section,
		type(cp_subsys_type), optional, pointer	prev_subsys
	)

Controls program flow for classical MD and path-integrals.

Parameters

Definition at line 64 of file fist_main.F.

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