From 2ce0e5d4905bcfe610b01f59b2436d5fe873271e Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sat, 3 Jun 2017 01:13:49 +0200 Subject: [PATCH] Fixed Travis --- plugins/Hartree_Fock/Roothaan_Hall_SCF.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/plugins/Hartree_Fock/Roothaan_Hall_SCF.irp.f b/plugins/Hartree_Fock/Roothaan_Hall_SCF.irp.f index 60ee3ccb..7a9bb4d1 100644 --- a/plugins/Hartree_Fock/Roothaan_Hall_SCF.irp.f +++ b/plugins/Hartree_Fock/Roothaan_Hall_SCF.irp.f @@ -102,7 +102,7 @@ END_DOC MO_coef = eigenvectors_Fock_matrix_MO TOUCH MO_coef level_shift Delta_Energy_SCF = HF_energy - energy_SCF_previous - if (level_shift > 1.d0) exit + if (level_shift > 0.6d0) exit enddo level_shift = level_shift_save SOFT_TOUCH level_shift