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Published 20 hours ago • verified publisher icon dftbplus

MPI parallel MODES

Open vanderhe opened this issue 1 year ago • 0 comments

Work in progress...

To do:

  • [ ] displacement vectors from distributed eigenmodes
  • [ ] distributed removal of translational or rotational modes
  • [ ] enable regression tests

vanderhe avatar Sep 02 '24 12:09 vanderhe