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| .github/workflows/version-bump-and-package.yml | |
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| .editorconfig | |
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| docs/reference/cli_fext.rst | |
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| .github/workflows/lint.yml | |
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| docs/versioning.rst | |
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| docs/reference/libcalc.rst | |
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| docs/reference/taurenmd.xrst | |
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| README.rst | |
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| docs/reference/cli_distances.rst | |
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| docs/reference/cli_template.xxx | |
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| docs/reference/libs.xrst | |
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| .github/workflows/pr.yml | |
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| MANIFEST.in | |
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| docs/reference/index.rst | |
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| docs/reference/libmda.rst | |
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| docs/reference/cli_report.rst | |
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| AUTHORS.rst | |
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| LICENSE | |
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| docs/img/taurenmd_logo_black_readme.png | |
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| src/taurenmd/plots/__init__.py | 1 | A 0 mins |
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| devtools/clean_dist_check.py | 9 | A 0 mins |
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| src/taurenmd/__main__.py | 10 | A 0 mins |
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| src/taurenmd/libs/__init__.py | 17 | A 0 mins |
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| devtools/check_changelog.py | 18 | A 0 mins |
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| src/taurenmd/logger.py | 26 | A 0 mins |
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| src/taurenmd/cli_report.py | 37 | A 0 mins |
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| src/taurenmd/libs/libopenmm.py | 50 | A 0 mins |
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| src/taurenmd/libs/libutil.py | 59 | A 0 mins |
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| src/taurenmd/__init__.py | 61 | A 0 mins |
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| docs/conf.py | 63 | A 0 mins |
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| src/taurenmd/core.py | 66 | A 0 mins |
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| src/taurenmd/_cli_template.py | 72 | A 45 mins |
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| src/taurenmd/cli_nosol.py | 75 | A 1 hr |
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| src/taurenmd/plots/labeldots.py | 76 | A 3 hrs |
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| src/taurenmd/libs/libmdt.py | 84 | A 0 mins |
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| src/taurenmd/cli_imagemol.py | 86 | A 50 mins |
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| src/taurenmd/cli.py | 107 | A 0 mins |
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| setup.py | 109 | A 0 mins |
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| src/taurenmd/cli_fext.py | 114 | A 1 hr |
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| src/taurenmd/cli_rmsd.py | 126 | A 1 hr |
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| src/taurenmd/cli_rmsf.py | 142 | A 1 hr |
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| src/taurenmd/plots/plotparams.py | 148 | C 7 hrs |
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| src/taurenmd/cli_pangle.py | 150 | A 1 hr |
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| src/taurenmd/cli_distances.py | 152 | A 1 hr |
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| src/taurenmd/cli_trajedit.py | 184 | A 1 hr |
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| src/taurenmd/cli_rotations.py | 220 | A 1 hr |
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| src/taurenmd/libs/libmda.py | 278 | A 0 mins |
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| src/taurenmd/libs/libcalc.py | 286 | A 50 mins |
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| src/taurenmd/libs/libio.py | 393 | B 6 hrs |
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