From 73fc6078caf1a818dfdee1b117c6b20df0aee443 Mon Sep 17 00:00:00 2001 From: eginer Date: Thu, 14 Sep 2023 19:55:41 +0200 Subject: [PATCH] fixed stupid bug in purely parallel spin triple excitation term --- src/tc_bi_ortho/h_mat_triple.irp.f | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/tc_bi_ortho/h_mat_triple.irp.f b/src/tc_bi_ortho/h_mat_triple.irp.f index 5f332599..8d5d1ce4 100644 --- a/src/tc_bi_ortho/h_mat_triple.irp.f +++ b/src/tc_bi_ortho/h_mat_triple.irp.f @@ -283,17 +283,17 @@ subroutine triple_htilde_mu_mat_fock_bi_ortho(Nint, key_j, key_i, hmono, htwoe, if(degree_array(1) == 3)then h1 = holes_array(1,1) h2 = holes_array(2,1) - h3 = holes_array(1,1) + h3 = holes_array(3,1) p1 = particles_array(1,1) p2 = particles_array(2,1) - p3 = particles_array(1,1) + p3 = particles_array(3,1) else h1 = holes_array(1,2) h2 = holes_array(2,2) - h3 = holes_array(1,2) + h3 = holes_array(3,2) p1 = particles_array(1,2) p2 = particles_array(2,2) - p3 = particles_array(1,2) + p3 = particles_array(3,2) endif hthree = sym_3_e_int_from_6_idx_tensor(p3, p2, p1, h3, h2, h1) else