md_vel_utils.F File Reference

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

Go to the source code of this file.

Modules
module	md_vel_utils
	Collection of utilities for setting-up and handle velocities in MD runs.

Functions/Subroutines
subroutine, public	md_vel_utils::temperature_control (simpar, md_env, md_ener, force_env, logger)
	Perform all temperature manipulations during a QS MD run.
subroutine, public	md_vel_utils::comvel_control (md_ener, force_env, md_section, logger)
	Set to 0 the velocity of the COM along MD runs, if required.
subroutine, public	md_vel_utils::angvel_control (md_ener, force_env, md_section, logger)
	Set to 0 the angular velocity along MD runs, if required.
subroutine, public	md_vel_utils::setup_velocities (force_env, simpar, globenv, md_env, md_section, constraint_section, write_binary_restart_file)
	Initialize Velocities for MD runs.