tblite_coulomb_cache Module Reference

Data container for mutable data in electrostatic calculations. More...

Data Types
type	coulomb_cache

Functions/Subroutines
subroutine	update (self, mol)

Detailed Description

Data container for mutable data in electrostatic calculations.

Function/Subroutine Documentation

update()

subroutine tblite_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