Releases: molssi-seamm/seamm
Releases · molssi-seamm/seamm
Bugfix: naming of systems on update
- Fixed a bug with keeping the current name when updating a system.
Added units to header in tables & bugfixes
- The headers for table columns now include units when generated automatically when writing results. Existing columns are not changed.
- Changed the join step image and added the code to enable deleting it.
- Fixed an issue with the sizie of subwindows in edit dialogs
Adding keyed columns to the table output
- Catching errors when writing out the final structures for viewing and improved messages in such cases.
- Keyed columns in table output are used for e.g. the diffusion coefficients of multi-component fluids, where the column is expanded for each component.
Adding JSON for properties in the database and tables; bugfixes
- Handle non-scalar results using JSON so they can be output to tables
and added to the properties in the database. - Fixed error submitting jobs to Dashboard the user doesn't have a login for.
- Ask for credentials when adding a new dashboard to job dialog.
- Fixed bug creating a new project.
Improved error handling contacting Dashboards
- Trap and display errors when contacting Dashboards
- Allow SEAMM to continue despite such errors
Bugfix: missing directories causing a crash.
Merge pull request #144 from molssi-seamm/dev Bugfix: missing directories when executing simulation engines
Enhancements for thermal conductivity
- Enhanced handling of command-line options to supported self contained flowcharts.
- Various enhancements to graphs to better present results.
- Added tracebacks to error report to identify the code responsible for the issue.
- Correctly remember the filename for flowcharts opened from disk.
Fixed problem running standalone if the description was missing
Merge pull request #142 from molssi-seamm/dev Fixed problem running standalone if the description was missing.
Improvements for JobServer
2023.3.31 -- Bugfix: formatting of dates
- Fixed a minor issue with formatting the dates in Job.out.
2023.3.23 -- Updates for new JobServer
- Jobs running from the JobServer now update their status in the datastore as they finish. This helps support jobs continuing if the JobServer crashes or stops.
Bugfix: running jobs for the datastore from the command-line
- Fixed bug running from the command-line when giving project so the job is put in the datastore.
- Improved handling of title and description both when running from the command-line and GUI, defaulting to the title and description of the flowchart.