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'=' is not alowed in EZFIO.cfg. Ocaml bug
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@ -506,7 +506,7 @@ def create_ocaml_input(dict_ezfio_cfg,module_lower):
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template += [e_glob.create_type()]
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template += [e_glob.create_type()]
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template += ['',
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template += ['',
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' let get_default = Qpackage.get_ezfio_default "full_ci";;',
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' let get_default = Qpackage.get_ezfio_default "{0}";;'.format(module_lower),
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'']
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'']
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template += ['(* =~=~=~=~=~=~==~=~=~=~=~=~ *)',
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template += ['(* =~=~=~=~=~=~==~=~=~=~=~=~ *)',
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@ -31,14 +31,14 @@ default: False
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[ao_integrals_threshold]
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[ao_integrals_threshold]
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type: Threshold
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type: Threshold
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doc: If <pq|rs> < ao_integrals_threshold => <pq|rs> = 0
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doc: If <pq|rs> < ao_integrals_threshold then <pq|rs> is null
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interface: input
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interface: input
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default: 1.e-15
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default: 1.e-15
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ezfio_name: threshold_ao
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ezfio_name: threshold_ao
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[mo_integrals_threshold]
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[mo_integrals_threshold]
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type: Threshold
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type: Threshold
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doc: If <ij|kl> < ao_integrals_threshold => <ij|lk> = 0
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doc: If <ij|kl> < ao_integrals_threshold then <pq|rs> is null
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interface: input
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interface: input
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default: 1.e-15
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default: 1.e-15
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ezfio_name: threshold_mo
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ezfio_name: threshold_mo
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