Overflow of log (or other transforms) #1
PaulWAyers
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That's a good point, and no, we don't have it at the moment. We should add it to this class Line 382 in a4e8f57 |
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I've made this into an issue. Thanks @gabrielasd |
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@gabrielasd and @msricher do we have something to control for the fact that the log of the atomic density/orbital energy/orbital densities may fail when the argument of the log is too close to zero? Something like:
https://github.com/theochem/denspart/blob/e21de342078035669832b693cb49b269870a6e02/denspart/vh.py#L434
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