From 1a9698301dc0a7e7920bee0e489e8a61d4d0478e Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 10 Apr 2019 18:55:01 +0200 Subject: [PATCH] Removed test in reverse --- src/ao_two_e_ints/map_integrals.irp.f | 22 ++++++++++++---------- 1 file changed, 12 insertions(+), 10 deletions(-) diff --git a/src/ao_two_e_ints/map_integrals.irp.f b/src/ao_two_e_ints/map_integrals.irp.f index c248a9f8..2f508a08 100644 --- a/src/ao_two_e_ints/map_integrals.irp.f +++ b/src/ao_two_e_ints/map_integrals.irp.f @@ -110,16 +110,18 @@ subroutine two_e_integrals_index_reverse(i,j,k,l,i1) endif enddo enddo - do ii=1,8 - if (i(ii) /= 0) then - call two_e_integrals_index(i(ii),j(ii),k(ii),l(ii),i2) - if (i1 /= i2) then - print *, i1, i2 - print *, i(ii), j(ii), k(ii), l(ii) - stop 'two_e_integrals_index_reverse failed' - endif - endif - enddo +! This has been tested with up to 1000 AOs, and all the reverse indices are +! correct ! We can remove the test +! do ii=1,8 +! if (i(ii) /= 0) then +! call two_e_integrals_index(i(ii),j(ii),k(ii),l(ii),i2) +! if (i1 /= i2) then +! print *, i1, i2 +! print *, i(ii), j(ii), k(ii), l(ii) +! stop 'two_e_integrals_index_reverse failed' +! endif +! endif +! enddo end