From 2a264766134460ca3849f91470f64ecdd9699c45 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 12 Mar 2021 11:42:15 +0100 Subject: [PATCH] Change in weights --- src/cipsi/selection.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/cipsi/selection.irp.f b/src/cipsi/selection.irp.f index 799fce95..0b7e99c1 100644 --- a/src/cipsi/selection.irp.f +++ b/src/cipsi/selection.irp.f @@ -796,7 +796,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d enddo call configuration_to_dets_size(occ,n,elec_alpha_num,N_int) n = max(n,1) - w *= dsqrt(dble(n)) + w *= dble(n) endif if(w <= buf%mini) then