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Green-Phys / green-mbpt

Many-Body Perturbation solvers for Green project
MIT License
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Disable range-separated GDF from sneaking in #12

Closed pavel-po closed 4 months ago

pavel-po commented 4 months ago

RSGDF from the newer PySCF versions sneak in because of the redefined defaults in the GDF class. This pull request does the following:

  1. RS is disabled in GDF now for all PySCF versions.
  2. GDF construction is moved to a separate function removing several code duplications.

The scripts are tested with a fresh PySCF 2.5.0.

codecov-commenter commented 4 months ago

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