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Pull requests: pyscf/pyscf-forge

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Pull requests list

Add the analytical gradients of spin-flip TDA/ TDDFT in sftda_grad module.
#118 opened Mar 1, 2025 by Haskiy Loading…
1
[Work in progress] LNOCC
#115 opened Feb 25, 2025 by hongzhouye Loading…
2 of 4 tasks
[WIP] clearer trexio eri interface
#105 opened Jan 20, 2025 by kgasperich • Draft
1
TREXIO + MCSCF wavefunction
#92 opened Dec 20, 2024 by NastaMauger Loading…
7
[WIP] Add TDDFT-ris
#86 opened Nov 25, 2024 by sunqm • Draft
Local ISDF module (with k-sampling) for PBC mean-field calculation.
#62 opened Aug 13, 2024 by NingZhang1 Loading…
11
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