Repositories list

• mrh

  Public
  MRH's research code

  Python

  •

  Other

  •32•0•0•0•Updated Feb 3, 2025Feb 3, 2025

• pyscf-forge

  Public
  pyscf-forge is a collection of extensions for pyscf

  Python

  •

  Apache License 2.0

  •29•0•0•0•Updated Dec 6, 2024Dec 6, 2024

• 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

  •38•0•0•0•Updated Aug 19, 2024Aug 19, 2024

• molecular-DMET

  Public
  Molecular DMET code with MC-PDFT solver

  Python

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

• pDMET

  Public
  Density matrix embedding theory for periodic systems

  Python

  •

  Apache License 2.0

  •4•1•0•0•Updated Aug 23, 2023Aug 23, 2023

• las-qpe

  Public
  Python

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