Publication date
January 2022
DOIAbstract
Would fail if the ~/.config/systemd/user did not exist. The code now creates the directories as needed
Would fail if the ~/.config/systemd/user did not exist. The code now creates the directories as needed
Fixed issue with '-' and '_' in parameter/variable names Revamped documentation to the new MolSSI st...
Added handling of the OPLS-AA forcefield Moved documentation to new MolSSI theme and diátaxis layout...
This release supports the ability to submit jobs from the SEAMM GUI with command-line parameters, wh...
Made sure the ~/Library/LaunchAgents directory exists in order to prevent crashing
Properly restart the services when packages they depend on change, and also update the database sche...
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...
update --all from the command line failed if some packages were not installed. The same happened is ...
The GUI version now automatically installs and updates the development environment for development e...
In the previous release, job parameters were accepted when jobs were created, causing problems with ...
There was a bug getting all properties for a configuration which produced incorrect values
Fixed a problem that prevented getting the charge for systems created from SMILE
This fixes two bugs in mopac-step: Giving a custom configuration name for the structure generated b...
Functionally identical to previous release; however, there was an issue creating the documentation w...
Using update --all did not respect pinning of versions. This release fixes that problem
Fixed issue with '-' and '_' in parameter/variable names Revamped documentation to the new MolSSI st...
Added handling of the OPLS-AA forcefield Moved documentation to new MolSSI theme and diátaxis layout...
This release supports the ability to submit jobs from the SEAMM GUI with command-line parameters, wh...
Made sure the ~/Library/LaunchAgents directory exists in order to prevent crashing
Properly restart the services when packages they depend on change, and also update the database sche...
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...
update --all from the command line failed if some packages were not installed. The same happened is ...
The GUI version now automatically installs and updates the development environment for development e...
In the previous release, job parameters were accepted when jobs were created, causing problems with ...
There was a bug getting all properties for a configuration which produced incorrect values
Fixed a problem that prevented getting the charge for systems created from SMILE
This fixes two bugs in mopac-step: Giving a custom configuration name for the structure generated b...
Functionally identical to previous release; however, there was an issue creating the documentation w...
Using update --all did not respect pinning of versions. This release fixes that problem
Fixed issue with '-' and '_' in parameter/variable names Revamped documentation to the new MolSSI st...
Added handling of the OPLS-AA forcefield Moved documentation to new MolSSI theme and diátaxis layout...
This release supports the ability to submit jobs from the SEAMM GUI with command-line parameters, wh...
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