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grouping_each.json
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153 lines (153 loc) · 5 KB
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{
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"/home/ogo12949/CodeEntropy/.testdata/cyclohexane/molecules.top",
"/home/ogo12949/CodeEntropy/.testdata/cyclohexane/trajectory.crd"
],
"force_file": "/home/ogo12949/CodeEntropy/.testdata/cyclohexane/forces.frc",
"file_format": "MDCRD",
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"start": 0,
"end": 1,
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"output_file": "/tmp/pytest-of-ogo12949/pytest-3/popen-gw9/test_regression_matches_baseli0/job001/output_file.json",
"force_partitioning": 0.5,
"water_entropy": true,
"grouping": "each",
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"search_type": "grid"
},
"provenance": {
"python": "3.13.5",
"platform": "Linux-6.17.0-1017-oem-x86_64-with-glibc2.39",
"codeentropy_version": "2.1.1",
"git_sha": "f2e0e7c509c6683eea94dd25a25bba2639c0bb96"
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