Public Member Functions
procedure	update (self, mol)

Data Fields
real(wp)	alpha
real(wp)	alpha_multipole
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: