Changelog

r260420:

  • PESExploration: fix issue with non-case-sensitive regions. All region options should be case-sensitive.

r260417: AMS2026.102 released (Apr 20th, 2026)

r260417:

  • AMSjobs: fix issue with running remote jobs with spaces in their name.

  • PLAMS: view function only tests alternative backends (like xvfb) when required

  • MLPotential: default spin multiplicity set to 1 for all FAIRChem models using OMol model task

  • ml_env: list does not display internal model names unless explicitly requested

r260416:

  • AMSspectra: Display spin-spin coupling of certain calculated heterogenous atom pairs, instead of ignoring them all (e.g. H-F).

r260415:

  • Conformers: Print clearer error messages when jobs fail in the Score task (fixes: “UnboundLocalError: local variable ‘duplicate’ referenced before assignment”)

  • AMSinput: fix certain menus closing immediately (like the DFTB parameter selection) on Linux

  • BAND or DFTB: fix possible crash with QTAIM (Bader) analysis BAND or DFTB (nao)

r260414:

  • AMSjobs: fix refresh issue of comments field for remote jobs after transfer of files

  • scm.utils: to_settings now returns an unindented string by default, and does not have the final return statement.

r260411:

  • AMSspectra: do not show mode info when no mode is selected in vibaration spectra (for example immediatly after opening a results file)

r260410:

  • AMSjobs: close the ‘Transfer To/From Remote’ dialog to cancel the transfer

  • AMSjobs: fix some messages in the logfile incorrectly triggering the error status, adn showing as red error lines

  • AMSmovie: avoid AMSmovie hanging when scrolling the log scale too much

  • AMSview: initialize new visualization tools with last used field, if any

  • AMSview: do not show transition fit/coulomb densities for unrestricted systems

  • AMSinput: change timeout on pre-optimizer from 10 seconds to 60 seconds

  • AMSinput: do not report unchanged spin polarization as changed when warnings for disabled items are turned on in the preferences

  • AMSinput: fix issue with partial bond guessing when bonded atoms are selected.

  • AMSinput: fix messages displayed (which remembered old filenames)

  • AMSbands: click in bandstructure now opens the orbital in AMSview

  • BBresults: fix issue with sweep point adding in locales that have a comma as decimal separator

  • BBinput: decrease window size on first opening to avoid issue where the window is larger than the screen and hard to resize

  • Bumblebee: fix a rare crash in Bumblebee if the running job was monitored by BBresults on Windows

r260403: AMS2026.101 released (Apr 9th, 2026)