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Releases: luechow-group/inPsights

Albert Einstein

01 Dec 11:07
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  • added eigenvector visualization
  • added display of electron indices
  • changed display from total probability potential to probability potential differences
  • cleaned ProcessMaxima to allow for minimal input files
    • made clustering optional
    • made energy partitioning optional
    • made spin correlation optional
    • made voxel yaml node optional

Marie Curie

20 Jan 15:59
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Marie Curie Pre-release
Pre-release

This release adds:

  • major GUI fixes and improvements

Emmy Noether Göttingen

26 Apr 08:21
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  • fix: zeta normalization was applied twice in tests
  • fix: the same expansion center was used twice for the kernel distance

Emmy Noether Erlangen

23 Feb 17:37
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Emmy Noether Erlangen Pre-release
Pre-release
  • fixes a GUI bug
  • adds a compiler info string to the output
  • explicit Zenodo.org metadata

Emmy Noether

17 Feb 15:04
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Emmy Noether Pre-release
Pre-release

This release adds the following features:

  • non-cubic voxels
  • SED export for MacMolPlt
  • sub-weights, a deselect-all button, and column header tooltips for the GUI

Max Born

14 Dec 20:49
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Max Born Pre-release
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This is an alpha version for the publication of the ab initio dot structures paper.