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Incorrect Contributions for unrestricted calculations #1

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rperezsoto opened this issue Jan 29, 2021 · 0 comments
Open

Incorrect Contributions for unrestricted calculations #1

rperezsoto opened this issue Jan 29, 2021 · 0 comments
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@rperezsoto
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In pyssian-tddft-cubes.py when the input is a gaussian calculation of a unrestricted wavefunction, the contributions should not be multiplied by 2. They should only be squared.
@rperezsoto rperezsoto added the bug Something isn't working label Jan 29, 2021
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