qmmm_gpw_forces.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qmmm_gpw_forces
	Routines to compute energy and forces in a QM/MM calculation.

Functions/Subroutines
subroutine, public	qmmm_gpw_forces::qmmm_forces (qs_env, qmmm_env, mm_particles, calc_force, mm_cell)
	General driver to Compute the contribution to the forces due to the QM/MM potential. More...