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aiida-gulp

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0.10.0b5 aiida_gulp-0.10.0b5-py3-none-any.whl

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Project: aiida-gulp
Version: 0.10.0b5
Filename: aiida_gulp-0.10.0b5-py3-none-any.whl
Download: [link]
Size: 287632
MD5: ded6964612cf8c9603f5ea2f89f3c37c
SHA256: 3ac6a69be2121bc1d1119f76e6994de13a8b9816c4a005c16e543631f75bc69f
Uploaded: 2019-10-30 18:14:38 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida-gulp
Version: 0.10.0b5
Summary: AiiDA plugin for running the GULP MD code
Author: Chris Sewell
Author-Email: chrisj_sewell[at]hotmail.com
Home-Page: https://github.com/chrisjsewell/aiida-gulp
License: MIT
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3.6
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Framework :: AiiDA
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Requires-Dist: ase (<4.0.0,>=3.12.0); python_version >= "3"
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Requires-Dist: mock (==2.0.0); extra == "testing"
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Requires-Dist: coverage; extra == "testing"
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Requires-Dist: pytest-notebook; python_version >= "3.5" and extra == "testing"
Provides-Extra: code_style
Provides-Extra: docs
Provides-Extra: testing
Description-Content-Type: text/markdown
[Description omitted; length: 3302 characters]

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aiida_gulp/validation/schemas/potential.base.schema.json sha256=IitS7kKwWweUUjHpJuKiZyhV8QfNdamYL6ISr3nb6gc 4043
aiida_gulp/validation/schemas/potential.lj.schema.json sha256=U633xayV5hzp6Aa2TMtxf4wd_FWKVHUj9mrGB6_znP4 2609
aiida_gulp/validation/schemas/potential.reaxff.schema.json sha256=5RhQjII8YTl-oRCoZ-k43NMcG9Uc8V8RAFl_PZ_TNHQ 10363
aiida_gulp/validation/schemas/structure.schema.json sha256=uXqhew29s_5W22QIAdQD893VkoVUJ3CxsbV1wJo3ddw 1332
aiida_gulp/validation/schemas/symmetry.schema.json sha256=z8cVy81fZoeZRLgcFr04w4cE9HGQNCwTSkD-A58KHIQ 1550
aiida_gulp-0.10.0b5.dist-info/LICENSE sha256=X0N-CDk8mGTnyp2UCqvKR2qImC3pzbuMnqrUDP0CGa0 7685
aiida_gulp-0.10.0b5.dist-info/METADATA sha256=jVUES91c5yYos0HLaMJrfzE1wFiayN3aJod8LWIWp8c 5366
aiida_gulp-0.10.0b5.dist-info/WHEEL sha256=p46_5Uhzqz6AzeSosiOnxK-zmFja1i22CrQCjmYe8ec 92
aiida_gulp-0.10.0b5.dist-info/entry_points.txt sha256=gFlg6XIwKFvbH9Al-09vxL-d3K9-_wzAWw-oKuk7MI0 869
aiida_gulp-0.10.0b5.dist-info/top_level.txt sha256=AqRJ6jmoYyxoe-39MzlIBoBgJQ6cwHqrV3tROsCkbhM 11
aiida_gulp-0.10.0b5.dist-info/RECORD — —

top_level.txt

aiida_gulp

entry_points.txt

[aiida.calculations]
gulp.fitting = aiida_gulp.calculations.gulp_fitting:GulpFittingCalculation
gulp.optimize = aiida_gulp.calculations.gulp_optimize:GulpOptCalculation
gulp.single = aiida_gulp.calculations.gulp_single:GulpSingleCalculation
[aiida.cmdline.data]
gulp.potentials = aiida_gulp.cmndline.potentials:potentials
[aiida.data]
gulp.potential = aiida_gulp.data.potential:EmpiricalPotential
gulp.symmetry = aiida_gulp.data.symmetry:SymmetryData
[aiida.parsers]
gulp.fitting = aiida_gulp.parsers.parse_fitting:GulpFittingParser
gulp.optimize = aiida_gulp.parsers.parse_opt:GulpOptParser
gulp.single = aiida_gulp.parsers.parse_single:GulpSingleParser
[aiida.workflows]
[console_scripts]
gulp_mock = aiida_gulp.tests.mock_gulp:main
[gulp.potentials]
lj = aiida_gulp.potentials.lj:PotentialWriterLJ
reaxff = aiida_gulp.potentials.reaxff:PotentialWriterReaxff