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Pull requests: pyscf/pyscf-forge

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Pull requests list

Staggered mesh method for PBC exact exchange
#98 opened Jan 3, 2025 by stephen-quiton Loading…
Add option for external libs in CMakeLists
#97 opened Jan 3, 2025 by jeanwsr Loading…
5
TREXIO + MCSCF wavefunction
#92 opened Dec 20, 2024 by NastaMauger Loading…
3
[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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