Changelog¶

r260506:

AMSinput, AMSkinetics: minor fix for help text, last part for two help text balloons was missing due to typo.

r260501: AMS2026.103 released (May 4th, 2026)¶

r260501:

AMSview: avoid repeated menu seperator lines in the popup menu next to the shortcut buttons.
AMSinput: avoid potential crash when quitting.
AMSjobs: avoid losing status info for a job.

r260430:

r260429:

Bundle AI-friendly text version of docs in $AMSHOME/Doc/text
ChemicalSystem (Python): fix potential segmentation faults when calling reorder_atoms or add_hydrogen_atoms with invalid input.

r260424:

AMSinput and ChemicalSystem: fix issue with cutting slabs from crystals with a single atom in the unit cell (fixes “Unable to auto-select a reference atom for slab constructions”).

r260423:

r260422:

AMSjobs: avoid hanging on reading job comments.
AMSjobs: avoid too many network connections errors when double clicking remote files in ASMjobs.

r260420:

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

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