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  • MPI FKF Stuttgart
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  • fci-siso Public

    Forked from hczhai/fci-siso

    State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI

    Python GNU General Public License v3.0 Updated Apr 12, 2024

  • StackBlock Public

    Forked from sanshar/StackBlock
    C GNU General Public License v3.0 Updated Mar 13, 2024

  • pyscf Public

    Forked from pyscf/pyscf

    Python module for quantum chemistry

    Python Apache License 2.0 Updated Oct 11, 2023

  • shciscf Public

    Forked from pyscf/shciscf

    An interface to SHCI program Dice developed by Sharma group

    Python Apache License 2.0 Updated Apr 29, 2022

  • block2-preview Public

    Forked from block-hczhai/block2-preview

    Efficient parallel quantum chemistry DMRG in MPO formalism

    C++ GNU General Public License v3.0 Updated Jan 5, 2022

  • Block Public

    Forked from sanshar/Block

    Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.

    C GNU General Public License v3.0 Updated Mar 22, 2020

  • OpenMolcas Public

    Forked from quanp/OpenMolcas

    A copy of OpenMolcas with an interface to Dice (Heat-bath CI), Block (DMRG), and CheMPS2 (DMRG)

    Fortran GNU Lesser General Public License v2.1 Updated Oct 16, 2018

  • pbchf Public

    Forked from sunqm/pbchf

    An example to implement PBC SCF

    Jupyter Notebook Updated Jul 10, 2018