github grimme-lab/mctc-lib v0.3.2
MCTC library version 0.3.2

latest releases: v0.5.1, v0.5.0, v0.4.2...
19 months ago

Changelog

  • Specify executable name for mctc-convert in manifest by @awvwgk in #53
  • Fix typos and markdown syntax by @e-kwsm in #54
  • Remove compiler ID from include directrory by @yurivict in #55
  • Added support for Maestro .mol files. by @MtoLStoN in #56
  • fix token positions by @Albkat in #59
  • Allows writing of Turbomole format with angstrom. by @MtoLStoN in #62
  • Update CI workflow to latest state as of multicharge by @marcelmbn in #66
  • Add OpenMP option for CMake by @awvwgk in #65
  • Add fix for reading poscar reading by @awvwgk in #64
  • Add options if nvfortran is detected by @awvwgk in #68
  • Update to version 0.3.2 by @awvwgk in #69

New Contributors

Full Changelog: v0.3.1...v0.3.2

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