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MCTC library version 0.3.1

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@awvwgk awvwgk released this 01 Aug 14:44
· 7 commits to main since this release
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Changelog

  • Only write groups in Turbomole output if necessary (#41)
  • Update chain information when switching creating terminators in PDB (#42)
  • Allow adjusting of module install subdirectory (#26)
  • Allow building with Intel-CL (#43)
  • Fix module install subdirectory functionality (#44)
  • replace deprecated make_directory with file(MAKE_DIRECTORY) (#45)
  • Update install-mod.py to use Python 3 (#46)
  • Support chemical JSON (#50, #51)

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Full Changelog: v0.3.0...v0.3.1