tblite_integral_type Module Reference

Declaration of an integral storage container to collect all overlap related integrals. More...

Data Types
type	integral_type
	Integral container to store all overlap related integrals. More...

Functions/Subroutines
subroutine, public	new_integral (self, nao)
	Create and allocate a new integral container storage.

Detailed Description

Declaration of an integral storage container to collect all overlap related integrals.

Function/Subroutine Documentation

new_integral()

subroutine, public tblite_integral_type::new_integral	(	type(integral_type), intent(out)	self,
		integer, intent(in)	nao )

Create and allocate a new integral container storage.

Parameters

[out]	self	Instance of the integral container
[in]	nao	Dimension of the integrals