shirtsgroup / physical_validation

Physical validation of molecular simulations
https://physical-validation.readthedocs.io
MIT License
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More GROMACS tests #144

Closed ptmerz closed 3 years ago

ptmerz commented 3 years ago

Adds a test reading a GROMACS system with bond and angle terms. Adds tests of the include_path functionality for topologies. Removes an unneeded exception class.

Refs #59

codecov[bot] commented 3 years ago

Codecov Report

Merging #144 (282e46d) into master (02f66b6) will increase coverage by 1.56%. The diff coverage is n/a.