| .autorelease/test-testpypi.sh | |
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| .coveragerc | |
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| .github/workflows/autorelease-default-env.sh | |
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| .github/workflows/autorelease-deploy.yml | |
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| .github/workflows/autorelease-gh-rel.yml | |
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| .github/workflows/autorelease-prep.yml | |
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| .github/workflows/test-suite.yml | |
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| .gitignore | |
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| .readthedocs.yml | |
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| LICENSE | |
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| README.md | |
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| autorelease-env.sh | |
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| autorelease_check.py | 21 | A 0 mins |
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| devtools/miniconda_install.sh | |
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| devtools/tests_require.txt | |
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| docs/Makefile | |
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| docs/api/index.rst | |
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| docs/compiling.rst | |
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| docs/conf.py | 24 | A 0 mins |
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| docs/full_cli.rst | |
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| docs/index.rst | |
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| docs/interpretation.rst | |
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| docs/make.bat | |
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| docs/parameters.rst | |
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| docs/plugins.rst | |
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| docs/requirements.txt | |
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| docs/sphinx-helpers/make_param_table.py | 73 | A 0 mins |
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| docs/wizard.rst | |
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| docs/workflows.rst | |
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| example_plugins/README.md | |
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| example_plugins/one_pot_tps.py | 51 | A 1 hr |
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| example_plugins/tps.py | 45 | A 1 hr |
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| paths_cli/__init__.py | 6 | A 0 mins |
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| paths_cli/cli.py | 75 | A 55 mins |
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| paths_cli/commands/__init__.py | 0 | A 0 mins |
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| paths_cli/commands/append.py | 53 | A 1 hr |
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| paths_cli/commands/compile.py | 70 | A 0 mins |
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| paths_cli/commands/contents.py | 111 | A 25 mins |
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| paths_cli/commands/equilibrate.py | 58 | A 1 hr |
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| paths_cli/commands/md.py | 166 | A 0 mins |
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| paths_cli/commands/pathsampling.py | 39 | A 0 mins |
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| paths_cli/commands/visit_all.py | 42 | A 35 mins |
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| paths_cli/commands/wizard.py | 17 | A 0 mins |
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| paths_cli/compat/openmm.py | 15 | A 0 mins |
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| paths_cli/compiling/__init__.py | 9 | A 0 mins |
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| paths_cli/compiling/_gendocs/README.md | |
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| paths_cli/compiling/_gendocs/__init__.py | 2 | A 0 mins |
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| paths_cli/compiling/_gendocs/config_handler.py | 21 | A 0 mins |
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| paths_cli/compiling/_gendocs/docs_generator.py | 125 | A 0 mins |
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| paths_cli/compiling/_gendocs/json_type_handlers.py | 143 | A 0 mins |
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