qmmm_types_low.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	qmmm_types_low::qmmm_pot_type
	Real Space Potential. More...
type	qmmm_types_low::qmmm_pot_p_type
type	qmmm_types_low::qmmm_per_pot_type
	Periodic Potential. More...
type	qmmm_types_low::qmmm_per_pot_p_type
type	qmmm_types_low::qmmm_imomm_link_type
	LINKs IMOMM. More...
type	qmmm_types_low::qmmm_links_type
	LINKs summary. More...
type	qmmm_types_low::add_set_type
	... More...
type	qmmm_types_low::add_shell_type
	parameters for core-shell model potentials More...
type	qmmm_types_low::qmmm_env_qm_type
	... More...
type	qmmm_types_low::qmmm_env_mm_type
	... More...

Modules
module	qmmm_types_low

Functions/Subroutines
subroutine, public	qmmm_types_low::qmmm_env_mm_create (qmmm_env)
	...
subroutine, public	qmmm_types_low::qmmm_env_mm_release (qmmm_env)
	releases the given qmmm_env (see doc/ReferenceCounting.html)
subroutine, public	qmmm_types_low::qmmm_env_qm_create (qmmm_env)
	...
subroutine, public	qmmm_types_low::qmmm_env_qm_release (qmmm_env)
	releases the given qmmm_env (see doc/ReferenceCounting.html)
subroutine, public	qmmm_types_low::add_set_release (added_charges)
	deallocates the add_set_release
subroutine, public	qmmm_types_low::create_add_set_type (added_charges, ndim)
	creates the add_set_type structure
subroutine, public	qmmm_types_low::create_add_shell_type (added_shells, ndim)
	creates the add_shell_type structure

Variables
integer, parameter, public	qmmm_types_low::force_mixing_label_none = -1
integer, parameter, public	qmmm_types_low::force_mixing_label_qm_core_list = 10
integer, parameter, public	qmmm_types_low::force_mixing_label_qm_core = 9
integer, parameter, public	qmmm_types_low::force_mixing_label_qm_dynamics_list = 8
integer, parameter, public	qmmm_types_low::force_mixing_label_qm_dynamics = 7
integer, parameter, public	qmmm_types_low::force_mixing_label_buffer_list = 6
integer, parameter, public	qmmm_types_low::force_mixing_label_buffer = 5
integer, parameter, public	qmmm_types_low::force_mixing_label_termination = 4