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diffqc / dqc

Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
https://dqc.readthedocs.io/
Apache License 2.0
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[ENH] wavefunction at coordinates #16

Open lamthuy opened 1 year ago

lamthuy commented 1 year ago

Hi, Is there a way to get the value of the wavefunctions at input coordinates? Thank you!

mfkasim1 commented 1 year ago

Hi, currently there's no direct way to get the wavefunctions at given coordinates. Only density at given coordinate.