Documentation for module fist_main

perform classical molecular dynamics and path integral simulations

source: fist_main.F
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public Subroutines/Functions:

Controls program flow for classical MD and path-integrals

SUBROUTINEfist_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

Arguments:
POINTER
:: force_env ...
POINTER
:: root_section ...
POINTER
:: para_env ...
POINTER
:: globenv ...
LOGICAL,
OPTIONAL
:: qmmm ...
OPTIONAL, POINTER
:: qmmm_env ...
POINTER
:: force_env_section ...
POINTER
:: subsys_section ...
LOGICAL,
INTENT(in)
:: use_motion_section ...
OPTIONAL, POINTER
:: prev_subsys ...