md_run.F File Reference

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

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Modules
module	md_run
	Perform a molecular dynamics (MD) run using QUICKSTEP.

Functions/Subroutines
subroutine, public	md_run::qs_mol_dyn (force_env, globenv, averages, rm_restart_info, hmc_e_initial, hmc_e_final, mdctrl)
	Main driver module for Molecular Dynamics. More...