From ba805c3d8e60bceacc19d85d5eccdb9c87c32fc4 Mon Sep 17 00:00:00 2001 From: Thomas Applencourt Date: Tue, 31 Mar 2015 11:41:07 +0200 Subject: [PATCH] '=' is not alowed in EZFIO.cfg. Ocaml bug --- scripts/ezfio_interface/ei_handler.py | 2 +- src/Bielec_integrals/EZFIO.cfg | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/scripts/ezfio_interface/ei_handler.py b/scripts/ezfio_interface/ei_handler.py index 8bff5e69..fd08a152 100755 --- a/scripts/ezfio_interface/ei_handler.py +++ b/scripts/ezfio_interface/ei_handler.py @@ -506,7 +506,7 @@ def create_ocaml_input(dict_ezfio_cfg,module_lower): template += [e_glob.create_type()] template += ['', - ' let get_default = Qpackage.get_ezfio_default "full_ci";;', + ' let get_default = Qpackage.get_ezfio_default "{0}";;'.format(module_lower), ''] template += ['(* =~=~=~=~=~=~==~=~=~=~=~=~ *)', diff --git a/src/Bielec_integrals/EZFIO.cfg b/src/Bielec_integrals/EZFIO.cfg index 61c58c51..e6156754 100644 --- a/src/Bielec_integrals/EZFIO.cfg +++ b/src/Bielec_integrals/EZFIO.cfg @@ -31,14 +31,14 @@ default: False [ao_integrals_threshold] type: Threshold -doc: If < ao_integrals_threshold => = 0 +doc: If < ao_integrals_threshold then is null interface: input default: 1.e-15 ezfio_name: threshold_ao [mo_integrals_threshold] type: Threshold -doc: If < ao_integrals_threshold => = 0 +doc: If < ao_integrals_threshold then is null interface: input default: 1.e-15 ezfio_name: threshold_mo \ No newline at end of file