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@jvalegre jvalegre released this 13 Feb 11:37
· 326 commits to master since this release
1.4.4
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Learn about vigilant mode.
  • When using a CSV as input, the user can specify charge and mult for each species by
    using the charge/mult columns
  • QCORR now detects duplicates including the successful calculations from previous runs
  • Fixed an error in full_check from QCORR when using genecp
  • Admits lists in command lines specified as ["X"], "[X]" and '["X"]'
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