Add options to Wavefunction.desymmetrized_copy()

kylebystrom / pawpyseed

Parallel C/Python package for numerical analysis of PAW DFT wavefunctions

BSD 3-Clause "New" or "Revised" License

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Closed utf closed 4 years ago

utf commented 4 years ago

Added options to control the symmetry precision and whether time reversal symmetry is used in Wavefunction.desymmetrized_copy.

This PR is based on the GitHub branch in #7, hence it also includes those commits.

Fixes #6

kylebystrom commented 4 years ago

Thanks!