qmmmx_util.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qmmmx_util
	Routines used for force-mixing QM/MM calculations.

Functions/Subroutines
subroutine, public	qmmmx_util::apply_qmmmx_translate (qmmmx_env)
	Apply translation to the full system in order to center the QM system into the QM box.
subroutine, public	qmmmx_util::update_force_mixing_labels (subsys, qmmm_section, labels_changed)
	...
subroutine, public	qmmmx_util::setup_force_mixing_qmmm_sections (subsys, qmmm_section, qmmm_core_section, qmmm_extended_section)
	...