Define the neighbor list data types and the corresponding functionality. More...

Functions/Subroutines
subroutine, public	fist_neighbor_deallocate (fist_neighbor)
	... More...

subroutine, public	fist_neighbor_init (fist_neighbor, ncell)
	... More...

subroutine, public	fist_neighbor_add (neighbor_kind_pair, atom_a, atom_b, rab, check_spline, id_kind, skip, cell, ei_scale14, vdw_scale14, exclusions)
	... More...

Detailed Description

Define the neighbor list data types and the corresponding functionality.

Function/Subroutine Documentation

subroutine, public fist_neighbor_list_types::fist_neighbor_deallocate ( type(fist_neighbor_type), pointer fist_neighbor )

...

Parameters

fist_neighbor ...

Definition at line 68 of file fist_neighbor_list_types.F.

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subroutine, public fist_neighbor_list_types::fist_neighbor_init	(	type(fist_neighbor_type), pointer	fist_neighbor,
		integer, dimension(3), intent(in)	ncell
	)

...

Parameters

fist_neighbor	...
ncell	...

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subroutine, public fist_neighbor_list_types::fist_neighbor_add	(	type(neighbor_kind_pairs_type), pointer	neighbor_kind_pair,
		integer, intent(in)	atom_a,
		integer, intent(in)	atom_b,
		real(kind=dp), dimension(3)	rab,
		logical, intent(out)	check_spline,
		integer, intent(in)	id_kind,
		logical, intent(in)	skip,
		type(cell_type), pointer	cell,
		real(kind=dp), intent(in)	ei_scale14,
		real(kind=dp), intent(in)	vdw_scale14,
		type(exclusion_type), dimension(:), optional	exclusions
	)

...

Parameters

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