shirtsgroup / physical_validation

Physical validation of molecular simulations

https://physical-validation.readthedocs.io

MIT License

55 stars 19 forks source link

Closed ptmerz closed 3 years ago

ptmerz commented 3 years ago

Description

Add regression tests of interval estimates, using NVT and NPT ensembles and both the potential and the total energy as input.

Refs #59

codecov-commenter commented 3 years ago

:exclamation: No coverage uploaded for pull request base (master@9ae24f8). Click here to learn what that means. The diff coverage is n/a.