From 54b01efc231562a99256fc8dbc27356fa786d8ab Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 7 Jun 2021 16:02:42 +0200 Subject: [PATCH] Removed do_csf : Bug --- src/davidson/diagonalize_ci.irp.f | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/davidson/diagonalize_ci.irp.f b/src/davidson/diagonalize_ci.irp.f index 06744934..da5fb950 100644 --- a/src/davidson/diagonalize_ci.irp.f +++ b/src/davidson/diagonalize_ci.irp.f @@ -57,8 +57,8 @@ END_PROVIDER enddo ! Deactivated temporarily: bug in N_csf - do_csf = s2_eig .and. only_expected_s2 .and. (expected_s2 == 0.d0) -! do_csf = .False. +! do_csf = s2_eig .and. only_expected_s2 .and. (expected_s2 == 0.d0) + do_csf = .False. if (diag_algorithm == "Davidson") then