Properly restart the services when packages they depend on change, and also update the database schema if it is changed (Datastore). Revamped and cleaned up the command-line interface
This release adds the parameters argument to functions in database building and datastore importing....
This fixes two bugs in mopac-step: Giving a custom configuration name for the structure generated b...
Fixed issue with '-' and '_' in parameter/variable names Revamped documentation to the new MolSSI st...
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...
update --all from the command line failed if some packages were not installed. The same happened is ...
Added Geometry Analysis and Strain steps Fixed issue with some system packages have non standard ver...
In the previous release, job parameters were accepted when jobs were created, causing problems with ...
This release fixes some bugs which were present in the last release. Fixes an error on re-importing...
Using update --all did not respect pinning of versions. This release fixes that problem
The GUI version now automatically installs and updates the development environment for development e...
Would fail if the ~/.config/systemd/user did not exist. The code now creates the directories as need...
2023.3.31 Added new plug-in: QCArchive 2023.3.23 Added new plug-ins: Gaussian, TorchANI and NWChe...
This release supports the ability to submit jobs from the SEAMM GUI with command-line parameters, wh...
This release removes the path field from the Flowchart table and adds alembic for performing databas...
This release adds the parameters argument to functions in database building and datastore importing....
This fixes two bugs in mopac-step: Giving a custom configuration name for the structure generated b...
Fixed issue with '-' and '_' in parameter/variable names Revamped documentation to the new MolSSI st...
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...
update --all from the command line failed if some packages were not installed. The same happened is ...
Added Geometry Analysis and Strain steps Fixed issue with some system packages have non standard ver...
In the previous release, job parameters were accepted when jobs were created, causing problems with ...
This release fixes some bugs which were present in the last release. Fixes an error on re-importing...
Using update --all did not respect pinning of versions. This release fixes that problem
The GUI version now automatically installs and updates the development environment for development e...
Would fail if the ~/.config/systemd/user did not exist. The code now creates the directories as need...
2023.3.31 Added new plug-in: QCArchive 2023.3.23 Added new plug-ins: Gaussian, TorchANI and NWChe...
This release supports the ability to submit jobs from the SEAMM GUI with command-line parameters, wh...
This release removes the path field from the Flowchart table and adds alembic for performing databas...
This release adds the parameters argument to functions in database building and datastore importing....
This fixes two bugs in mopac-step: Giving a custom configuration name for the structure generated b...
Fixed issue with '-' and '_' in parameter/variable names Revamped documentation to the new MolSSI st...
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