Fixed issue with '-' and '_' in parameter/variable names Revamped documentation to the new MolSSI style and diátaxis layout. (internal) Moved from LGTM to GitHub CodeQL for code quality analysi
Properly restart the services when packages they depend on change, and also update the database sche...
Added handling of the OPLS-AA forcefield Moved documentation to new MolSSI theme and diátaxis layout...
What's Changed Support for MOZYME and optimizing periodic systems by @paulsaxe in https://github.co...
Cleaned up the GUI making dialogs large, showing all parameters, and making appropriate comboboxes r...
In the previous release, job parameters were accepted when jobs were created, causing problems with ...
This fixes two bugs in mopac-step: Giving a custom configuration name for the structure generated b...
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 ability to get lists of systems or configurations filtered by name Improved handling of proper...
Functionally identical to previous release; however, there was an issue creating the documentation w...
This release supports the ability to submit jobs from the SEAMM GUI with command-line parameters, wh...
Corrected bugs, including if no dispersion term requested Added preliminary version of accelerated o...
Added Geometry Analysis and Strain steps Fixed issue with some system packages have non standard ver...
Improved the handling of the index column Added Save as Added Excel and JSON formats
There was a bug that caused a crash when reading cif and mmcif files, and potentially some other for...
Properly restart the services when packages they depend on change, and also update the database sche...
Added handling of the OPLS-AA forcefield Moved documentation to new MolSSI theme and diátaxis layout...
What's Changed Support for MOZYME and optimizing periodic systems by @paulsaxe in https://github.co...
Cleaned up the GUI making dialogs large, showing all parameters, and making appropriate comboboxes r...
In the previous release, job parameters were accepted when jobs were created, causing problems with ...
This fixes two bugs in mopac-step: Giving a custom configuration name for the structure generated b...
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 ability to get lists of systems or configurations filtered by name Improved handling of proper...
Functionally identical to previous release; however, there was an issue creating the documentation w...
This release supports the ability to submit jobs from the SEAMM GUI with command-line parameters, wh...
Corrected bugs, including if no dispersion term requested Added preliminary version of accelerated o...
Added Geometry Analysis and Strain steps Fixed issue with some system packages have non standard ver...
Improved the handling of the index column Added Save as Added Excel and JSON formats
There was a bug that caused a crash when reading cif and mmcif files, and potentially some other for...
Properly restart the services when packages they depend on change, and also update the database sche...
Added handling of the OPLS-AA forcefield Moved documentation to new MolSSI theme and diátaxis layout...
What's Changed Support for MOZYME and optimizing periodic systems by @paulsaxe in https://github.co...
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