shirtsgroup / physical_validation

Physical validation of molecular simulations

https://physical-validation.readthedocs.io

MIT License

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Closed ptmerz closed 3 years ago

ptmerz commented 3 years ago

Runs the equipartition test on a system of two octanol molecules in gas phase, and compares to previous output.

Status

codecov[bot] commented 3 years ago

Merging #122 (9d575ea) into master (b1135e0) will increase coverage by 6.77%. The diff coverage is n/a.