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nomad-lab
parser-gaussian
Commits
67796b15
Commit
67796b15
authored
May 17, 2016
by
Mohamed, Fawzi Roberto (fawzi)
Browse files
applying obvious metadata renames
section_system_description -> section_system cell_associated -> cell_dependent
parent
84fdc6f4
Changes
1
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Inline
Side-by-side
parser/parser-gaussian/parser_gaussian.py
View file @
67796b15
...
...
@@ -40,7 +40,7 @@ mainFileDescription = SM(
]
),
SM
(
name
=
'charge_multiplicity'
,
sections
=
[
'section_system
_description
'
,
'x_gaussian_section_chargemult'
],
sections
=
[
'section_system'
,
'x_gaussian_section_chargemult'
],
startReStr
=
r
"\s*Charge ="
,
subFlags
=
SM
.
SubFlags
.
Sequenced
,
forwardMatch
=
True
,
...
...
@@ -49,7 +49,7 @@ mainFileDescription = SM(
]
),
SM
(
name
=
'geometry'
,
sections
=
[
'section_system
_description
'
,
'x_gaussian_section_geometry'
],
sections
=
[
'section_system'
,
'x_gaussian_section_geometry'
],
startReStr
=
r
"\s*Input orientation:|\s*Z-Matrix orientation:|\s*Standard orientation:"
,
subFlags
=
SM
.
SubFlags
.
Sequenced
,
subMatchers
=
[
...
...
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