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mddatasetbuilder
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A
.github\dependabot.yml
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.github\workflows\push.yml
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.github\workflows\pyright.yml
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.github\workflows\release.yml
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.pre-commit-config.yaml
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codecov.yml
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mddatasetbuilder\__init__.py
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mddatasetbuilder\__main__.py
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mddatasetbuilder\_logger.py
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mddatasetbuilder\c_stack.cpp
6 3 -
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mddatasetbuilder\c_stack.h
0 3 -
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mddatasetbuilder\datasetbuilder.py
73 20 1
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mddatasetbuilder\deepmd.py
15 8 -
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mddatasetbuilder\detect.py
66 12 2
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mddatasetbuilder\qmcalc.py
4 4 -
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mddatasetbuilder\utils.py
27 10 2
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tests\__init__.py
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tests\test_bond.py
2 4 -
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tests\test_cli.py
1 1 -
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tests\test_datasetbuilder.py
22 7 -