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pyscf / pyscf-forge Public

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Fork 21
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Pull requests: pyscf/pyscf-forge

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Pull requests list

Enable PySCF 3.10 and 3.12 unit tests in CI

#78 opened Nov 6, 2024 by MatthewRHermes

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Add MSDFT method

#77 opened Nov 4, 2024 by sunqm • Draft

A new LibXC interface based on CFFI and new MC-DCFT code

#70 opened Sep 27, 2024 by Dayou-Zhang

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Implemented the ECP part

#68 opened Sep 19, 2024 by kousuke-nakano • Draft

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Local ISDF module (with k-sampling) for PBC mean-field calculation.

#62 opened Aug 13, 2024 by NingZhang1

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