From 270dc053facd764aace2b68993526c1d4c9120d2 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 12 Jun 2014 23:02:41 +0200 Subject: [PATCH] Bug in generators --- src/Generators_full/generators.irp.f | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/src/Generators_full/generators.irp.f b/src/Generators_full/generators.irp.f index 3f3fba86..9d8761d2 100644 --- a/src/Generators_full/generators.irp.f +++ b/src/Generators_full/generators.irp.f @@ -47,7 +47,13 @@ BEGIN_PROVIDER [ integer(bit_kind), psi_generators, (N_int,2,psi_det_size) ] ! For Single reference wave functions, the generator is the ! Hartree-Fock determinant END_DOC - psi_generators = psi_det_sorted + integer :: i, k + do i=1,N_det + do k=1,N_int + psi_generators(k,1,i) = psi_det_sorted(k,1,i) + psi_generators(k,2,i) = psi_det_sorted(k,2,i) + enddo + enddo END_PROVIDER