qmmm_gaussian_input.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qmmm_gaussian_input
	Set the QMMM Gaussian Input Environment.

Functions/Subroutines
subroutine, public	qmmm_gaussian_input::read_mm_potential (para_env, qmmm_gaussian_fns, compatibility, qmmm_section)
	read MM_POTENTIAL file
subroutine, public	qmmm_gaussian_input::set_mm_potential_erf (qmmm_gaussian_fns, compatibility, num_geep_gauss)
	set the GEEP information for Erf(r/rc)/r
subroutine, public	qmmm_gaussian_input::set_mm_potential_swave (qmmm_gaussian_fns, num_geep_gauss)
	set the GEEP information for the S-WAVE expansion