Data Fields
real(wp)	alpha

type(wignerseitz_cell)	wsc

real(wp), dimension(:, :), allocatable	amat

real(wp), dimension(:), allocatable	vvec

real(wp), dimension(:), allocatable	cn

real(wp), dimension(:, :, :), allocatable	dcndr

real(wp), dimension(:, :, :), allocatable	dcndl

real(wp), dimension(:), allocatable	mrad

real(wp), dimension(:), allocatable	dmrdcn

real(wp), dimension(:, :, :), allocatable	amat_sd

real(wp), dimension(:, :, :, :), allocatable	amat_dd

real(wp), dimension(:, :, :), allocatable	amat_sq

Member Function/Subroutine Documentation

◆ update()

procedure tblite_coulomb_cache::coulomb_cache::update	(	class(coulomb_cache), intent(inout)	self,
		type(structure_type), intent(in)	mol )

Parameters

[in,out]	self	Instance of the electrostatic container
[in]	mol	Molecular structure data

The documentation for this type was generated from the following file: