tblite_xtb_coulomb Module Reference

Collects all Coulomb related interaction in as single interaction container. More...

Data Types
type	tb_coulomb
	Collection of Coulombic interactions. More...

Functions/Subroutines
subroutine	set_partition (self, partition)
	Assign an externally managed share of the interaction loops to every contribution.

Detailed Description

Collects all Coulomb related interaction in as single interaction container.

Function/Subroutine Documentation

set_partition()

subroutine tblite_xtb_coulomb::set_partition	(	class(tb_coulomb), intent(inout)	self,
		type(work_partition), intent(in)	partition )

Assign an externally managed share of the interaction loops to every contribution.

Parameters

[in,out]	self	Instance of the electrostatic container
[in]	partition	Share of the interaction loops evaluated by this instance