integral_library_types Module Reference

Library choices for electronic integral APIs. More...

Data Types
type	integral_library_type
type	coulomb_operator_type

Functions/Subroutines
subroutine, public	integral_library_init (coulomb2_library, coulomb3_library, fallback_applied)
	Resolves requested Coulomb integral libraries against the compiled-in backends.

Variables
integer, parameter, public	library_native = 0
integer, parameter, public	library_libint = 1
integer, parameter, public	default_coulomb_library = library_native
type(integral_library_type), save, public	active_integral_library = integral_library_type()

Detailed Description

Library choices for electronic integral APIs.

Function/Subroutine Documentation

integral_library_init()

subroutine, public integral_library_types::integral_library_init	(	integer, intent(in)	coulomb2_library,
		integer, intent(in)	coulomb3_library,
		logical, intent(out)	fallback_applied )

Resolves requested Coulomb integral libraries against the compiled-in backends.

Parameters

coulomb2_library	requested two-center Coulomb integral library
coulomb3_library	requested three-center Coulomb integral library
fallback_applied	whether an unavailable Libint request was replaced by the native backend

Definition at line 57 of file integral_library_types.F.

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Variable Documentation

library_native

integer, parameter, public integral_library_types::library_native = 0

Definition at line 20 of file integral_library_types.F.

library_libint

integer, parameter, public integral_library_types::library_libint = 1

Definition at line 20 of file integral_library_types.F.

default_coulomb_library

integer, parameter, public integral_library_types::default_coulomb_library = library_native

Definition at line 27 of file integral_library_types.F.

active_integral_library

type(integral_library_type), save, public integral_library_types::active_integral_library = integral_library_type()

Definition at line 45 of file integral_library_types.F.