From 801af11f1ab0a7a3258783c298d0755c7704d2c4 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 22 Feb 2021 13:14:31 +0100 Subject: [PATCH] Factor 2 in RDM --- src/two_body_rdm/two_e_dm_mo.irp.f | 1 + 1 file changed, 1 insertion(+) diff --git a/src/two_body_rdm/two_e_dm_mo.irp.f b/src/two_body_rdm/two_e_dm_mo.irp.f index 3c58977a..203c7ff2 100644 --- a/src/two_body_rdm/two_e_dm_mo.irp.f +++ b/src/two_body_rdm/two_e_dm_mo.irp.f @@ -525,5 +525,6 @@ BEGIN_PROVIDER [double precision, two_e_dm_mo, (mo_num,mo_num,mo_num,mo_num,N_st enddo enddo + two_e_dm_mo(:,:,:,:,:) = two_e_dm_mo(:,:,:,:,:) * 2.d0 END_PROVIDER