Issues

• detectKindOfCriticalPoint [LOWESTFREQ <int>]

  denoptim-project/AutoCompChem#27 · Filter by author marco-foscato opened on Jul 2, 2026

• last geometry

  denoptim-project/AutoCompChem#26 · Filter by author marco-foscato opened on Jul 2, 2026

• Ambiguity between getEnergy and getFreeEnergy

  denoptim-project/AutoCompChem#25 · Filter by author marco-foscato opened on May 20, 2026

• Job type-specific criteria for normal termination

  enhancement
  Feature

  denoptim-project/AutoCompChem#24 · Filter by author marco-foscato opened on Jan 21, 2026

• Action of Terminator when running server mode

  denoptim-project/AutoCompChem#23 · Filter by author marco-foscato opened on Jun 3, 2025

• Handling of \n in CLI arguments

  denoptim-project/AutoCompChem#19 · Filter by author marco-foscato opened on May 21, 2025

• irrelevant log in the mids of formatted table in xTB log

  denoptim-project/AutoCompChem#13 · Filter by author marco-foscato opened on Dec 23, 2023

• CLI arguments with list of items

  denoptim-project/AutoCompChem#12 · Filter by author marco-foscato opened on Aug 10, 2023

• Remove dependency on bc

  denoptim-project/AutoCompChem#9 · Filter by author marco-foscato opened on Jan 9, 2023