glbopt_callback.F File Reference

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

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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. More...