Calculates 2-center integrals for different r12 operators comparing the Solid harmonic Gaussian integral scheme to the Obara-Saika (OS) scheme. More...

Functions/Subroutines
subroutine, public	create_shg_integrals_test_section (section)
	Create input section for unit testing.

subroutine, public	shg_integrals_perf_acc_test (iw, shg_integrals_test_section)
	Unit test for performance and accuracy of the SHG integrals.

Detailed Description

Calculates 2-center integrals for different r12 operators comparing the Solid harmonic Gaussian integral scheme to the Obara-Saika (OS) scheme.

Author: Dorothea Golze [05.2016]

Function/Subroutine Documentation

◆ create_shg_integrals_test_section()

subroutine, public shg_integrals_test::create_shg_integrals_test_section ( type(section_type), intent(inout), pointer section )

Create input section for unit testing.

Parameters

section ...

Definition at line 71 of file shg_integrals_test.F.

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◆ shg_integrals_perf_acc_test()

subroutine, public shg_integrals_test::shg_integrals_perf_acc_test	(	integer, intent(in)	iw,
		type(section_vals_type), intent(inout), pointer	shg_integrals_test_section
	)

Unit test for performance and accuracy of the SHG integrals.