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Enhancements, but still debugging symmetry
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@paulsaxe paulsaxe released this 19 Jan 20:28
· 13 commits to main since this release
2024.1.19
22d9006
  • Added ability to write out the input file and not run FHI-aims
  • Check if the calculation has been run, and don't rerun FHI-aims
  • Switched to new method of executing background jobs that supports containers.
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