From b1806d517d4bca0b059a9992f02891684bf850a4 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 18 Jun 2021 12:47:27 +0200 Subject: [PATCH] Deactivated banned excitations --- src/mo_one_e_ints/mo_overlap.irp.f | 1 - src/mo_two_e_ints/map_integrals.irp.f | 6 ++++++ 2 files changed, 6 insertions(+), 1 deletion(-) diff --git a/src/mo_one_e_ints/mo_overlap.irp.f b/src/mo_one_e_ints/mo_overlap.irp.f index 4ce83fcd..9b21e032 100644 --- a/src/mo_one_e_ints/mo_overlap.irp.f +++ b/src/mo_one_e_ints/mo_overlap.irp.f @@ -1,4 +1,3 @@ - BEGIN_PROVIDER [ double precision, mo_overlap,(mo_num,mo_num) ] implicit none BEGIN_DOC diff --git a/src/mo_two_e_ints/map_integrals.irp.f b/src/mo_two_e_ints/map_integrals.irp.f index 8756ee47..9fb1e6c9 100644 --- a/src/mo_two_e_ints/map_integrals.irp.f +++ b/src/mo_two_e_ints/map_integrals.irp.f @@ -296,6 +296,12 @@ end ! If true, the excitation is banned in the selection. Useful with local MOs. END_DOC banned_excitation = .False. + use_banned_excitation = .False. + + ! DEACTIVATED + return + ! DEACTIVATED + integer :: i,j, icount integer(key_kind) :: idx double precision :: tmp