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Add aliases
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ladinesa committed Aug 29, 2024
1 parent a1dade1 commit 6e907aa
Showing 1 changed file with 14 additions and 0 deletions.
14 changes: 14 additions & 0 deletions atomisticparsers/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -45,6 +45,7 @@ def load(self):

amber_parser_entry_point = EntryPoint(
name='parsers/amber',
aliases=['parsers/amber'],
description='NOMAD parser for AMBER.',
python_package='atomisticparsers.amber',
mainfile_contents_re=r'\s*Amber\s[0-9]+\s[A-Z]+\s*[0-9]+',
Expand All @@ -68,6 +69,7 @@ def load(self):

asap_parser_entry_point = EntryPoint(
name='parsers/asap',
aliases=['parsers/asap'],
description='NOMAD parser for ASAP.',
python_package='atomisticparsers.asap',
mainfile_binary_header_re=b'AFFormatASE\\-Trajectory',
Expand All @@ -94,6 +96,7 @@ def load(self):

bopfox_parser_entry_point = EntryPoint(
name='parsers/bopfox',
aliases=['parsers/bopfox'],
description='NOMAD parser for BOPFOX.',
python_package='atomisticparsers.bopfox',
mainfile_contents_re=r'\-+\s+BOPfox \(v',
Expand All @@ -118,6 +121,7 @@ def load(self):

dftbplus_parser_entry_point = EntryPoint(
name='parsers/dftbplus',
aliases=['parsers/dftbplus'],
description='NOMAD parser for DFTBPLUS.',
python_package='atomisticparsers.dftbplus',
mainfile_contents_re=r'\| DFTB\+',
Expand All @@ -143,6 +147,7 @@ def load(self):

dlpoly_parser_entry_point = EntryPoint(
name='parsers/dl-poly',
aliases=['parsers/dl-poly'],
description='NOMAD parser for DLPOLY.',
python_package='atomisticparsers.dlpoly',
mainfile_contents_re=r'\*\*\s+DL_POLY.+\*\*',
Expand All @@ -167,6 +172,7 @@ def load(self):

gromacs_parser_entry_point = EntryPoint(
name='parsers/gromacs',
aliases=['parsers/gromacs'],
description='NOMAD parser for GROMACS.',
python_package='atomisticparsers.gromacs',
mainfile_contents_re=r'gmx mdrun, (VERSION|version)[\s\S]*Input Parameters:',
Expand All @@ -191,6 +197,7 @@ def load(self):

gromos_parser_entry_point = EntryPoint(
name='parsers/gromos',
aliases=['parsers/gromos'],
description='NOMAD parser for GROMOS.',
python_package='atomisticparsers.gromos',
mainfile_contents_re=r'Bugreports to http://www.gromos.net',
Expand All @@ -215,6 +222,7 @@ def load(self):

gulp_parser_entry_point = EntryPoint(
name='parsers/gulp',
aliases=['parsers/gulp'],
description='NOMAD parser for GULP.',
python_package='atomisticparsers.gulp',
mainfile_contents_re=(
Expand Down Expand Up @@ -242,6 +250,7 @@ def load(self):

h5md_parser_entry_point = EntryPoint(
name='parsers/h5md',
aliases=['parsers/h5md'],
description='NOMAD parser for H5MD.',
python_package='atomisticparsers.h5md',
mainfile_binary_header_re=b'^\\x89HDF',
Expand All @@ -267,6 +276,7 @@ def load(self):

lammps_parser_entry_point = EntryPoint(
name='parsers/lammps',
aliases=['parsers/lammps'],
description='NOMAD parser for LAMMPS.',
python_package='atomisticparsers.lammps',
mainfile_contents_re=r'^LAMMPS\s+\(.+\)',
Expand All @@ -290,6 +300,7 @@ def load(self):

libatoms_parser_entry_point = EntryPoint(
name='parsers/lib-atoms',
aliases=['parsers/lib-atoms'],
description='NOMAD parser for LIBATOMS.',
python_package='atomisticparsers.libatoms',
mainfile_contents_re=r'\s*<GAP_params\s',
Expand All @@ -314,6 +325,7 @@ def load(self):

namd_parser_entry_point = EntryPoint(
name='parsers/namd',
aliases=['parsers/namd'],
description='NOMAD parser for NAMD.',
python_package='atomisticparsers.namd',
mainfile_contents_re=r'\s*Info:\s*NAMD\s*[0-9.]+\s*for\s*',
Expand All @@ -339,6 +351,7 @@ def load(self):

tinker_parser_entry_point = EntryPoint(
name='parsers/tinker',
aliases=['parsers/tinker'],
description='NOMAD parser for TINKER.',
python_package='atomisticparsers.tinker',
mainfile_contents_re=r'TINKER --- Software Tools for Molecular Design',
Expand All @@ -363,6 +376,7 @@ def load(self):

xtb_parser_entry_point = EntryPoint(
name='parsers/xtb',
aliases=['parsers/xtb'],
description='NOMAD parser for XTB.',
python_package='atomisticparsers.xtb',
mainfile_contents_re=r'x T B\s+\|\s+\|\s+=',
Expand Down

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