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Pull requests: pyscf/pyscf-forge

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Pull requests list

Add OCCRI (Occupied Orbital Coulomb Resolution of Identity) method
#155 opened Aug 1, 2025 by kosm6966 Loading…
[FEATURE TRANSFER] [possibly unnecessary] Remove MC-PDFT (1/2)
#154 opened Jul 17, 2025 by MatthewRHermes Loading…
RT-TDDFT
#136 opened May 5, 2025 by fishjojo Loading…
Add a feature tranfer template
#135 opened May 3, 2025 by sunqm Loading…
1
[Work in progress] LNOCC
#115 opened Feb 25, 2025 by hongzhouye Loading…
2 of 4 tasks
5
[WIP] clearer trexio eri interface
#105 opened Jan 20, 2025 by kgasperich • Draft
3
TREXIO + MCSCF wavefunction
#92 opened Dec 20, 2024 by NastaMauger Loading… v1.0.4
49
[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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