Evaluate coulomb matrix. More...

Public Member Functions
subroutine	get_coulomb_matrix (self, mol, cache, amat)

Detailed Description

Evaluate coulomb matrix.

Constructor & Destructor Documentation

subroutine tblite_coulomb_charge_type::get_coulomb_matrix::get_coulomb_matrix	(	class(coulomb_charge_type), intent(in)	self,
		type(structure_type), intent(in)	mol,
		type(coulomb_cache), intent(inout)	cache,
		real(wp), dimension(:, :), intent(out), contiguous	amat )

virtual

Parameters

[in]	self	Instance of the electrostatic container
[in]	mol	Molecular structure data
[in,out]	cache	Reusable data container
[out]	amat	Coulomb matrix

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