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`Wavefunction` is currently multiply defined, once as the [class](https://github.com/quantumlib/OpenFermion-FQE/blob/master/src/fqe/wavefunction.py#L52) and once as a getter [function](https://github.…
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We should add some improved tutorials for the most common use cases, including plain-vanilla Richardson-Gaudin and the picket-fence Richardson-Gaudin model.
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Waiting for `init_wfc auto` option to solve the bug below
### Describe the bug
After #3140 , We can use `init_wfc file` and `init_chg file` when the file is not exist, ABACUS will skip the reading p…
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PR #1277 brought up the issue of what role the `reference_wavefunction_` data member fulfills and if it is really needed with the current ways of using the `Wavefunction` object. Consensus among core …
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A key component of the schema which we have not hit on too much so far is the return of orbitals/densities/eigenvalues for visualization and passing data between programs. I would like to push the dis…
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`plot.Wavefunction` equates the marker size to the modulus of the complex coefficients `fun`:
` ax = self.axes.scatter(x, y, s=fun, c=phase, cmap=cmap, vmax=np.pi, vmin=-np.pi)
`
For my …
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If there is an interface to pseudo-wavefunctions (as opposed to all electron with PAW projector contributions), I haven't found it, so maybe it could use better documentation. If there isn't, it migh…
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Over the past few years, we've observed that some of our documentation and examples have not received the necessary maintenance and updates. This legacy documentation has led to confusion when reading…
sunqm updated
2 months ago
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Hi,
Is there a way to get the value of the wavefunctions at input coordinates? Thank you!