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pyscf-forge
pyscf-forge PublicForked from pyscf/pyscf-forge
pyscf-forge is a staging ground for code that may be suitable for pyscf-core
Python
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trexio_tools
trexio_tools PublicForked from TREX-CoE/trexio_tools
Set of tools for trexio files
Python
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tinker-hp
tinker-hp PublicForked from TinkerTools/tinker-hp
Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs
C
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qmcpack
qmcpack PublicForked from QMCPACK/qmcpack
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performanc…
C++
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