From c8ee6036678e98984bf6ad886867775f58ff03df Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 6 Jun 2018 10:47:51 +0200 Subject: [PATCH] Increased number of fragments --- plugins/Full_CI_ZMQ/selection.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/plugins/Full_CI_ZMQ/selection.irp.f b/plugins/Full_CI_ZMQ/selection.irp.f index 82276406..3da1bca4 100644 --- a/plugins/Full_CI_ZMQ/selection.irp.f +++ b/plugins/Full_CI_ZMQ/selection.irp.f @@ -5,7 +5,7 @@ BEGIN_PROVIDER [ integer, fragment_count ] BEGIN_DOC ! Number of fragments for the deterministic part END_DOC - fragment_count = (elec_alpha_num-n_core_orb)**2 + fragment_count = (elec_alpha_num-n_core_orb)*mo_tot_num END_PROVIDER