shirtsgroup / physical_validation

Physical validation of molecular simulations
https://physical-validation.readthedocs.io
MIT License
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ptmerz-add-total-energy-regression #107

Closed ptmerz closed 3 years ago

ptmerz commented 3 years ago

Description

Previous regression tests only covered code paths using potential energy only for the ensemble tests. This switches some of the existing cases to using total energy for slightly larger coverage at identical run time.

Status

codecov-commenter commented 3 years ago

Codecov Report

Merging #107 (265d8e3) into master (4e10840) will increase coverage by 0.18%. The diff coverage is n/a.