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Cube PhaseChange

Dennis Svatunek, 2018, UCLA

[email protected]

@clickchemist

Changes the phase in Gaussian cube files

Available options:

  • Change to opposite phase (standard)

  • Change all to positive (-p)

  • Change all to negative (-n)

  • Changing the orbital numbers by adding 1000 (-c)

Please cite: DOI

https://github.com/dsvatunek/cube_phasechange