This release fixes some bugs which were present in the last release. Fixes an error on re-importing jobs Fixes an error on updating entries with time stamps Fixes error on job and project update which updated whole table instead of single entry. Fixes query order on get method for jobs and projects. Cascades deletion for permissions association tables so that users can be removed from datastore
This release supports the ability to submit jobs from the SEAMM GUI with command-line parameters, wh...
What's Changed Fixed bug with atom typing due to limit in matches. by @paulsaxe in https://github.c...
Fixed bug with atom type assignment due to changed order of atoms. In the process, switch to using R...
In the previous release, job parameters were accepted when jobs were created, causing problems with ...
Properly restart the services when packages they depend on change, and also update the database sche...
This release gets rid of most of the API functions and moves to using methods on the sqlalchemy clas...
This release adds the parameters argument to functions in database building and datastore importing....
Restructured documentation and moved to new theme Fixed bug with access rows of tables with non-inte...
Properly restart the services when packages they depend on change, and also update the database sche...
Added Geometry Analysis and Strain steps Fixed issue with some system packages have non standard ver...
Using update --all did not respect pinning of versions. This release fixes that problem
2023.3.31 -- Bugfix: formatting of dates Fixed a minor issue with formatting the dates in Job.out. ...
Functionally identical to previous release; however, there was an issue creating the documentation w...
This fixes two bugs in mopac-step: Giving a custom configuration name for the structure generated b...
update --all from the command line failed if some packages were not installed. The same happened is ...
This release supports the ability to submit jobs from the SEAMM GUI with command-line parameters, wh...
What's Changed Fixed bug with atom typing due to limit in matches. by @paulsaxe in https://github.c...
Fixed bug with atom type assignment due to changed order of atoms. In the process, switch to using R...
In the previous release, job parameters were accepted when jobs were created, causing problems with ...
Properly restart the services when packages they depend on change, and also update the database sche...
This release gets rid of most of the API functions and moves to using methods on the sqlalchemy clas...
This release adds the parameters argument to functions in database building and datastore importing....
Restructured documentation and moved to new theme Fixed bug with access rows of tables with non-inte...
Properly restart the services when packages they depend on change, and also update the database sche...
Added Geometry Analysis and Strain steps Fixed issue with some system packages have non standard ver...
Using update --all did not respect pinning of versions. This release fixes that problem
2023.3.31 -- Bugfix: formatting of dates Fixed a minor issue with formatting the dates in Job.out. ...
Functionally identical to previous release; however, there was an issue creating the documentation w...
This fixes two bugs in mopac-step: Giving a custom configuration name for the structure generated b...
update --all from the command line failed if some packages were not installed. The same happened is ...
This release supports the ability to submit jobs from the SEAMM GUI with command-line parameters, wh...
What's Changed Fixed bug with atom typing due to limit in matches. by @paulsaxe in https://github.c...
Fixed bug with atom type assignment due to changed order of atoms. In the process, switch to using R...
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