mosdef-hub / foyer / 460

Builds Branch Commit Type Ran Committer Via Coverage
460 pin-openmm Add PYTHON_VERSION to yml Pull #190 web-flow travis-ci pending completion   set done
459 pin-openmm Force appveyor to build Python 3.5 first Pull #190 web-flow travis-ci pending completion   set done
458 pin-openmm Trying adding mdtraj with a pinned version Pull #190 web-flow travis-ci pending completion   set done
446 0.5.0 Bump to version 0.5.0 push summeraz travis-ci pending completion   set done
445 master Bump to version 0.5.0 push summeraz travis-ci pending completion   set done
444 charmm_torsions Add tests for charmm improper dihedrals and urey bradleys Pull #165 web-flow travis-ci pending completion   set done
443 master Replace ring finding code (#171) * Replace ring finding code * Added test for correct cycle identification in multi-cyclic compounds * Add fullerene PDB for unit test * Add atomtyping performance tests * Adjust timeout times * Adju... push web-flow travis-ci pending completion   set done
441 ring-finding Adjust timeout times for performance tests Pull #171 web-flow travis-ci pending completion   set done
440 ring-finding Adjust timeout times Pull #171 web-flow travis-ci pending completion   set done
438 ring-finding Add fullerene PDB for unit test Pull #171 web-flow travis-ci pending completion   set done
436 master Add support for overrides definitions with spaces (#181) * Strip whitespace from overrides parsing * Add unit test for overrides definition with space push web-flow travis-ci pending completion   set done
435 master Add DOIs for OPLS atomtypes (#158) * Added DOIs for alkyl chloride atomtypes * Added DOIs for acetals * Added DOIs for sulfoxide atomtypes * Added DOI for pyridine and pyrimidine atomtypes * Added DOI for pyrrole atomtypes * Added ... push web-flow travis-ci pending completion   set done
434 master Multiple DOIs per atomtype (#168) * Added support for listing multiple DOIs per atomtype * Added test for multiple DOI-per-atomtype * Add *.bib to manifest file * More readable names when unpacking atomtype references dict * Fix inden... push web-flow travis-ci pending completion   set done
433 overrides-space Add unit test for overrides definition with space Pull #181 web-flow travis-ci pending completion   set done
432 multiple-dois Slight syntax change when logging dois Pull #168 web-flow travis-ci pending completion   set done