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csf_fci requires better memory management

Status: Open.

#156 In pyscf/pyscf-forge;

· MatthewRHermes opened on Aug 3, 2025

TODO list for TREX-IO: to make a pull request to the main repository in the future.

Status: Open.

#153 In pyscf/pyscf-forge;

· kousuke-nakano opened on Jul 16, 2025

macOS Build Fails with <code>ld: library 'xc' not found</code>

Status: Open.

#150 In pyscf/pyscf-forge;

· dustinrb opened on May 23, 2025

[FEATURE TRANSFER] Transfer MC-PDFT to the PySCF core modules

Status: Open.

#144 In pyscf/pyscf-forge;

· MatthewRHermes opened on May 9, 2025

MC-PDFT with XCFun

enhancementNew feature or requestNew feature or request

Status: Open.

#107 In pyscf/pyscf-forge;

· matthew-hennefarth opened on Feb 8, 2025

trexio possible issue with ERI basis

Status: Open.

#103 In pyscf/pyscf-forge;

· kgasperich opened on Jan 17, 2025

More efficient way for split_x_c

Status: Open.

#100 In pyscf/pyscf-forge;

· jeanwsr opened on Jan 9, 2025

[FEATURE TRANSFER] Transfer the ppRPA Module to PySCF-Core

Status: Open.

#87 In pyscf/pyscf-forge;

· lijiachen417 opened on Dec 4, 2024

double hybrid functional

Status: Open.

#52 In pyscf/pyscf-forge;

· sunqm opened on Jun 6, 2024

Interface to the PyFraME package for Polarizable Embedding

Status: Open.

#51 In pyscf/pyscf-forge;

· JonasProg opened on Jun 4, 2024