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Published April 22, 2018 | Version 0.5.0
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SMTG-UCL/galore: DOS interpolation

  • 1. University College London, Dept. of Chemistry
  • 2. @SMTG-UCL

Description

Resampling is now done by linear interpolation, which is more reasonable for continuous data and means there is not a minimal broadening requirement for a decent DOS output. The previous behaviour is more appropriate for irregularly-spaced data and remains available with the "spikes" option.

Files

SMTG-UCL/galore-0.5.0.zip

Files (1.2 MB)

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