LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-02 03:15:29 +02:00
Code Issues Releases Wiki Activity

'=' is not alowed in EZFIO.cfg. Ocaml bug

Browse Source
This commit is contained in:
Thomas Applencourt 2015-03-31 11:41:07 +02:00
parent 2c0480fcd8
commit ba805c3d8e
2 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
scripts/ezfio_interface/ei_handler.py
View File

@ -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 += ['(* =~=~=~=~=~=~==~=~=~=~=~=~ *)',

4
src/Bielec_integrals/EZFIO.cfg
View File

@ -31,14 +31,14 @@ default: False
[ao_integrals_threshold]
type: Threshold
doc: If <pq|rs> < ao_integrals_threshold => <pq|rs> = 0
doc: If <pq|rs> < ao_integrals_threshold then <pq|rs> is null
interface: input
default: 1.e-15
ezfio_name: threshold_ao
[mo_integrals_threshold]
type: Threshold
doc: If <ij|kl> < ao_integrals_threshold => <ij|lk> = 0
doc: If <ij|kl> < ao_integrals_threshold then <pq|rs> is null
interface: input
default: 1.e-15
ezfio_name: threshold_mo