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Finalized support for Docker containers
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@paulsaxe paulsaxe released this 24 Apr 21:51
· 5 commits to main since this release
2024.4.24
15ad5a1
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GPG key ID: B5690EEEBB952194
Learn about vigilant mode.
  • Fixed issues and tested running in containers.
  • Add CI to make a Docker image for DFTB+
  • Fixed issue with changes in input for DFTB+: CalculateGradients has become PrintGradients it seems.
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