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14 Open 52 Closed
14 Open 52 Closed
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Issues list

Since PySCF-2.3, B3LYP (and B3P86) are changed... bug Something isn't working
#171 opened Dec 3, 2024 by Konjkov
5
Speed up determinants calculations enhancement New feature or request
#160 opened Nov 23, 2023 by NicoRenaud
Atomic Orbitals above d-orbitals enhancement New feature or request
#159 opened Nov 23, 2023 by NicoRenaud
PyQuante2 Backend enhancement New feature or request
#123 opened Jun 23, 2021 by NicoRenaud
1
Improving sampling techniques
#84 opened Mar 9, 2021 by NicoRenaud
Benchmark/Optimization of the MH sampling
#81 opened Mar 9, 2021 by NicoRenaud
Horovod integration
#80 opened Mar 9, 2021 by NicoRenaud
3 tasks
@matthijsdewit111
1
Replace string representing files with Path enhancement New feature or request
#67 opened Oct 30, 2020 by felipeZ
Add type hints enhancement New feature or request
#66 opened Oct 30, 2020 by felipeZ
Add some type annotations enhancement New feature or request
#65 opened Oct 30, 2020 by felipeZ
@felipeZ
Diffusion Monte Carlo
#10 opened May 1, 2020 by NicoRenaud
2 tasks
Implement a traditional VMC algorithm
#9 opened May 1, 2020 by NicoRenaud
Stochastic Reconfiguration optimizer
#8 opened May 1, 2020 by NicoRenaud
Horovod solver
#7 opened May 1, 2020 by NicoRenaud
2 of 3 tasks
@NicoRenaud
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