Commit 0bf2a302 authored by Alvin Noe Ladines's avatar Alvin Noe Ladines
Browse files

Implemented new gaussian parser

parent 9dff02f5
Pipeline #94700 passed with stages
in 23 minutes and 59 seconds
Subproject commit f7221709b1c0abe678a0cc9059545ea9edb612c1
Subproject commit a7e5b8c6f1650975412cc472dc4793a952b55608
......@@ -36,6 +36,7 @@ from crystalparser import CrystalParser
from fhiaimsparser import FHIAimsParser
from excitingparser import ExcitingParser
from abinitparser import AbinitParser
from gaussianparser import GaussianParser
try:
# these packages are not available without parsing extra, which is ok, if the
......@@ -209,14 +210,7 @@ parsers = [
name='parsers/band', code_name='BAND', code_homepage='https://www.scm.com/product/band_periodicdft/',
parser_class_name='bandparser.BANDParser',
mainfile_contents_re=r' +\* +Amsterdam Density Functional +\(ADF\)'),
LegacyParser(
name='parsers/gaussian', code_name='Gaussian', code_homepage='http://gaussian.com/',
parser_class_name='gaussianparser.GaussianParser',
mainfile_mime_re=r'.*',
mainfile_contents_re=(
r'\s*Cite this work as:'
r'\s*Gaussian [0-9]+, Revision [A-Za-z0-9\.]*,')
),
GaussianParser(),
LegacyParser(
name='parsers/quantumespresso', code_name='Quantum Espresso', code_homepage='https://www.quantum-espresso.org/',
parser_class_name='quantumespressoparser.QuantumEspressoParserPWSCF',
......
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