abinit / abipy

Open-source library for analyzing the results produced by ABINIT
http://abinit.github.io/abipy
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Workflow refactoring #186

Closed henriquemiranda closed 5 years ago

henriquemiranda commented 5 years ago
  1. Remove Boltztrap related functions as they are not going to be supported anymore.
  2. Fixes when generating the json file for phononwebsite.
  3. Don't delete the individual DDB files when running phonon workflow (sometimes I had problems in the mrgddb and then was not even able to merge them manually).
gmatteo commented 5 years ago

Thanks