qmmm_links_methods.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qmmm_links_methods
	A collection of methods to treat the QM/MM links.

Functions/Subroutines
subroutine, public	qmmm_links_methods::qmmm_link_imomm_coord (qmmm_links, particles, qm_atom_index)
	correct the position for qm/mm IMOMM link type
subroutine, public	qmmm_links_methods::qmmm_link_imomm_forces (qmmm_links, particles_qm, qm_atom_index)
	correct the forces for qm/mm IMOMM link type
subroutine, public	qmmm_links_methods::qmmm_added_chrg_coord (qmmm_env, particles)
	correct the position for added charges in qm/mm link scheme
subroutine, public	qmmm_links_methods::qmmm_added_chrg_forces (qmmm_env, particles)
	correct the forces due to the added charges in qm/mm link scheme