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Pull requests: TheoChem-VU/TCMU

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Pull requests list

Added the ORCAFragmentJob to perform EDA calculations using ORCA
#479 opened Aug 8, 2025 by YHordijk Contributor • Draft
1
@YHordijk
Refactored the results module enhancement New feature or request tcutility.results
#476 opened Aug 5, 2025 by YHordijk Contributor • Draft
1
@YHordijk
398 add slurm submit to workflows
#449 opened May 19, 2025 by YHordijk Contributor • Draft
1
We are now able to read excitation data from ADFJob calculations
#427 opened Apr 30, 2025 by YHordijk Contributor Loading…
1
2
2We are now able to read excitation data from ADFJob calculations
#425 opened Apr 30, 2025 by YHordijk Contributor Loading…
1
@YHordijk
A new version of the Workflow class enhancement New feature or request tcutility.jobs
#418 opened Apr 23, 2025 by YHordijk Contributor • Draft
1
@YHordijk
ProTip! Filter pull requests by the default branch with base:main.