topology_constraint_util Module Reference

Collection of subroutine needed for topology related things. More...

Functions/Subroutines
subroutine, public	topology_constraint_pack (molecule_kind_set, molecule_set, topology, qmmm_env, particle_set, input_file, subsys_section, gci)
	Pack in all the information needed for the constraints. More...

Detailed Description

Collection of subroutine needed for topology related things.

History

jgh (23-05-2004) Last atom of molecule information added

Function/Subroutine Documentation

topology_constraint_pack()

subroutine, public topology_constraint_util::topology_constraint_pack	(	type(molecule_kind_type), dimension(:), pointer	molecule_kind_set,
		type(molecule_type), dimension(:), pointer	molecule_set,
		type(topology_parameters_type), intent(inout)	topology,
		type(qmmm_env_mm_type), optional, pointer	qmmm_env,
		type(particle_type), dimension(:), pointer	particle_set,
		type(section_vals_type), pointer	input_file,
		type(section_vals_type), pointer	subsys_section,
		type(global_constraint_type), pointer	gci
	)

Pack in all the information needed for the constraints.

Parameters

molecule_kind_set	...
molecule_set	...
topology	...
qmmm_env	...
particle_set	...
input_file	...
subsys_section	...
gci	...

Definition at line 85 of file topology_constraint_util.F.

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