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@jvalegre jvalegre released this 25 Feb 13:47
· 328 commits to master since this release
1.4.5
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Learn about vigilant mode.
  • Suffix/prefix options work in CSEARCH, CMIN and QPREP
  • Automatic recognition of metals with the auto_metal_atom option
  • In QPREP, if qm_input starts with "p ", the Gaussian inputs starts with "#p"
  • CSEARCH-CREST updates the CREST outfile as the program calculates (not at the end only)
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