mirror of
https://github.com/LCPQ/quantum_package
synced 2025-01-03 18:16:12 +01:00
'=' is not alowed in EZFIO.cfg. Ocaml bug
This commit is contained in:
parent
2c0480fcd8
commit
ba805c3d8e
@ -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 += ['(* =~=~=~=~=~=~==~=~=~=~=~=~ *)',
|
||||
|
@ -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
|
Loading…
Reference in New Issue
Block a user