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mpi4pyscf Public
Forked from pyscf/mpi4pyscfMPI parallelization for PySCF
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pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
Python Apache License 2.0 UpdatedFeb 10, 2024 -
polar_preview Public
Polariton and polaron (electron-boson coupled) systems from a quantum chemical perspective.
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libdmet_preview Public
Forked from gkclab/libdmet_previewA library of density matrix embedding theory (DMET).
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cuprate_parent_state_data Public
Data repository for paper https://arxiv.org/abs/2112.09735
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cornell-shci Public
Forked from pyscf/cornell-shciAn interface to the SHCI program developed by Umrigar group at Cornell
Python Apache License 2.0 UpdatedFeb 22, 2022 -
shci-1 Public
Forked from QMC-Cornell/shciArrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
C++ Other UpdatedFeb 22, 2022 -
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Source / output files of DMRG benchmark on Hubbard model for paper: On the v-representability of density matrix embedding theory.
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pyscf-doc Public
Forked from pyscf/pyscf.github.iopyscf-doc
TeX Apache License 2.0 UpdatedApr 1, 2021 -
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mpi4py-examples Public
Forked from jbornschein/mpi4py-examplesmpi4py examples
Python MIT License UpdatedJun 14, 2020 -
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ctfccsd Public
Forked from awhite862/ctfccsdUsing CTF to parallelize CCSD and kCCSD code
Python UpdatedMar 29, 2019 -
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sparse Public
Forked from gkc1000/sparseSparse multi-dimensional arrays for the PyData ecosystem
Python BSD 3-Clause "New" or "Revised" License UpdatedSep 19, 2018 -
QC-DMET Public
Forked from SebWouters/QC-DMETQC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry
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StackBlock_ZHC Public
Forked from zhengbx/StackBlockC GNU General Public License v3.0 UpdatedAug 31, 2018 -
CheMPS2 Public
Forked from SebWouters/CheMPS2CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
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PyDMRG Public
Forked from philliphelms/PyDMRGA relatively simple implementation, in Python, of the DMRG algorithm using the MPS framework.
Python UpdatedJul 27, 2018