qs_neighbor_list_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_neighbor_list_types
	Define the neighbor list data types and the corresponding functionality.

Functions/Subroutines
subroutine, public	qs_neighbor_list_types::neighbor_list_iterator_create (iterator_set, nl, search, nthread)
	Neighbor list iterator functions. More...
subroutine, public	qs_neighbor_list_types::neighbor_list_iterator_release (iterator_set)
	... More...
subroutine, public	qs_neighbor_list_types::nl_set_sub_iterator (iterator_set, ikind, jkind, iatom, mepos)
	... More...
integer function, public	qs_neighbor_list_types::neighbor_list_iterate (iterator_set, mepos)
	... More...
integer function, public	qs_neighbor_list_types::nl_sub_iterate (iterator_set, mepos)
	... More...
subroutine, public	qs_neighbor_list_types::get_iterator_info (iterator_set, mepos, ikind, jkind, nkind, ilist, nlist, inode, nnode, iatom, jatom, r, cell)
	... More...
subroutine, public	qs_neighbor_list_types::get_iterator_task (iterator_set, task, mepos)
	Captures the current state of the iterator in a neighbor_list_task_type. More...
subroutine, public	qs_neighbor_list_types::add_neighbor_list (neighbor_list_set, atom, neighbor_list)
	Add a new neighbor list to a neighbor list set. More...
subroutine, public	qs_neighbor_list_types::add_neighbor_node (neighbor_list, neighbor, cell, r, exclusion_list, nkind)
	Add a new neighbor list node to a neighbor list. More...
subroutine, public	qs_neighbor_list_types::allocate_neighbor_list_set (neighbor_list_set, symmetric)
	Allocate and initialize a set of neighbor lists. More...
subroutine, public	qs_neighbor_list_types::deallocate_neighbor_list_set (neighbor_list_set)
	Deallocate a neighbor list set. More...
subroutine, public	qs_neighbor_list_types::get_neighbor_list_set (neighbor_list_set, nlist, symmetric)
	Return the components of a neighbor list set. More...
subroutine, public	qs_neighbor_list_types::get_neighbor_list_set_p (neighbor_list_sets, nlist, symmetric)
	Return the components of the first neighbor list set. More...
subroutine, public	qs_neighbor_list_types::release_neighbor_list_sets (nlists)
	releases an array of neighbor_list_sets More...