Repositories list

• pyscf-forge

  Public
  pyscf-forge is a collection of extensions for pyscf

  Python

  •

  Apache License 2.0

  •41•0•0•0•Updated Aug 27, 2025Aug 27, 2025

• wasp

  Public
  Weighted Active Space Protocol

  Python

  •

  GNU General Public License v3.0

  •1•0•0•0•Updated Aug 27, 2025Aug 27, 2025

• mrh

  Public
  MRH's research code

  Python

  •

  Other

  •35•0•0•0•Updated Aug 24, 2025Aug 24, 2025

• CEONet

  Public
  Jupyter Notebook

  •0•2•0•0•Updated Aug 23, 2025Aug 23, 2025

• las-qc

  Public
  Post-LAS quantum algorithms in the Gagliardi Group

  Python

  •

  Apache License 2.0

  •3•4•4•2•Updated Jul 1, 2025Jul 1, 2025

• periodiclas

  Public
  Jupyter Notebook

  •1•0•0•0•Updated May 5, 2025May 5, 2025

• molecular-DMET

  Public
  Molecular DMET code with MC-PDFT solver

  Python

  •1•0•0•0•Updated Mar 19, 2025Mar 19, 2025

• sharc

  Public
  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.

  Python

  •

  GNU General Public License v3.0

  •40•1•0•0•Updated Aug 19, 2024Aug 19, 2024

• molDMET

  Public
  One shot Density Matrix Embedding Theory for core ionization energy

  Python

  •

  GNU General Public License v3.0

  •1•0•0•0•Updated Mar 31, 2024Mar 31, 2024

• LAS-USCC

  Public
  Contains modified mrh, LAS-USCC scripts and QLAS-USCC

  Python

  •1•2•0•0•Updated Jan 29, 2024Jan 29, 2024

• pDMET

  Public
  Density matrix embedding theory for periodic systems

  Python

  •

  Apache License 2.0

  •3•1•0•0•Updated Aug 23, 2023Aug 23, 2023

• las-qksd

  Public
  Repository for LAS-QKSD code

  Python

  •1•0•0•0•Updated Apr 3, 2023Apr 3, 2023

• las-qpe

  Public
  Python

  •2•1•0•0•Updated Mar 15, 2023Mar 15, 2023