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nomad-lab
parser-gaussian
Commits
16a72f9e
Commit
16a72f9e
authored
May 19, 2016
by
Mohamed, Fawzi Roberto (fawzi)
Browse files
fix for metainfo rename target_multiplicity spin_target_multiplicity
parent
bb48b224
Changes
1
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Inline
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parser/parser-gaussian/parser_gaussian.py
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16a72f9e
...
@@ -45,7 +45,7 @@ mainFileDescription = SM(
...
@@ -45,7 +45,7 @@ mainFileDescription = SM(
subFlags
=
SM
.
SubFlags
.
Sequenced
,
subFlags
=
SM
.
SubFlags
.
Sequenced
,
forwardMatch
=
True
,
forwardMatch
=
True
,
subMatchers
=
[
subMatchers
=
[
SM
(
r
"\s*Charge =\s*(?P<total_charge>[-+0-9]+) Multiplicity =\s*(?P<target_multiplicity>[0-9]+)"
),
SM
(
r
"\s*Charge =\s*(?P<total_charge>[-+0-9]+) Multiplicity =\s*(?P<
spin_
target_multiplicity>[0-9]+)"
),
]
]
),
),
SM
(
name
=
'geometry'
,
SM
(
name
=
'geometry'
,
...
...
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