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@GagliardiGroup

Gagliardi Group

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  1. pDMET pDMET Public

    Forked from mitra054/mypDMET

    Density matrix embedding theory for periodic systems

    Python 1 1

  2. las-qpe las-qpe Public

    Python 2

  3. mrh mrh Public

    Forked from MatthewRHermes/mrh

    MRH's research code

    Python

  4. pyscf-forge pyscf-forge Public

    Forked from pyscf/pyscf-forge

    pyscf-forge is a collection of extensions for pyscf

    Python

  5. molDMET molDMET Public

    Forked from JangidBhavnesh/molDMET

    One shot Density Matrix Embedding Theory for core ionization energy

    Python

  6. molecular-DMET molecular-DMET Public

    Forked from shreya-chem/molecular-DMET

    Molecular DMET code with MC-PDFT solver

    Python

Repositories

Showing 8 of 8 repositories
  • mrh Public Forked from MatthewRHermes/mrh

    MRH's research code

    GagliardiGroup/mrh’s past year of commit activity
    Python 0 32 0 0 Updated Feb 3, 2025
  • pyscf-forge Public Forked from pyscf/pyscf-forge

    pyscf-forge is a collection of extensions for pyscf

    GagliardiGroup/pyscf-forge’s past year of commit activity
    Python 0 Apache-2.0 29 0 0 Updated Dec 6, 2024
  • sharc Public Forked from sharc-md/sharc

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

    GagliardiGroup/sharc’s past year of commit activity
    Python 0 GPL-3.0 38 0 0 Updated Aug 19, 2024
  • molecular-DMET Public Forked from shreya-chem/molecular-DMET

    Molecular DMET code with MC-PDFT solver

    GagliardiGroup/molecular-DMET’s past year of commit activity
    Python 0 1 0 0 Updated Apr 1, 2024
  • molDMET Public Forked from JangidBhavnesh/molDMET

    One shot Density Matrix Embedding Theory for core ionization energy

    GagliardiGroup/molDMET’s past year of commit activity
    Python 0 GPL-3.0 1 0 0 Updated Mar 31, 2024
  • LAS-USCC Public Forked from mitra054/LAS-USCC

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

    GagliardiGroup/LAS-USCC’s past year of commit activity
    Python 0 1 0 0 Updated Jan 29, 2024
  • pDMET Public Forked from mitra054/mypDMET

    Density matrix embedding theory for periodic systems

    GagliardiGroup/pDMET’s past year of commit activity
    Python 1 Apache-2.0 4 0 0 Updated Aug 23, 2023
  • las-qpe Public
    GagliardiGroup/las-qpe’s past year of commit activity
    Python 0 2 0 0 Updated Mar 15, 2023

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