glbopt_callback.F File Reference

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

Go to the source code of this file.

Modules
module	glbopt_callback
	Callback used by global geometry optimization schemes.

Functions/Subroutines
subroutine, public	glbopt_callback::glbopt_md_callback (mdctrl_data, md_env, should_stop)
	Callback used to hook into the main MD-loop. It recognizes and counts bumps in the potential energy. When MD_BUMPS_MAX is reached, the MD simulations is stoped.