shirtsgroup / physical_validation

Physical validation of molecular simulations

https://physical-validation.readthedocs.io

MIT License

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LAMMPS parser bugfix and test #143

Closed ptmerz closed 3 years ago

ptmerz commented 3 years ago

Fixes a bug in the LAMMPS parser molecule index Introduces a test comparing the LAMMPS parser to the flat file parser.

Refs #59

codecov[bot] commented 3 years ago

Codecov Report

Merging #143 (0f38cfc) into master (bf18bc9) will increase coverage by 10.02%. The diff coverage is 100.00%.

:exclamation: Current head 0f38cfc differs from pull request most recent head 6c177da. Consider uploading reports for the commit 6c177da to get more accurate results