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paulsaxe
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Mar 7, 2025
paulsaxe
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- Updated the code to work with the latest installer. In the process, directly incorporated the Slater-Koster files in the release because their location at dftb.org changed, causing errors in the installation.
- Add tracking of timing for calculations to ~/.seamm.d/timing/dftbplus.csv for analysis and future use in predicting job limits for queueing systems.
* Updated the code to work with the latest installer. In the process, directly incorporated the Slater-Koster files in the release because their location at dftb.org changed, causing errors in the installation. * Add tracking of timing for calculations to ~/.seamm.d/timing/dftbplus.csv for analysis and future use in prediciting job limits for queueing systems.
seamm
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