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pyscf-forge Public
Forked from pyscf/pyscf-forgepyscf-forge is a staging ground for code that may be suitable for pyscf-core
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gth2upf Public
Forked from maki49/gth2upfA one-step script to convert GTH pseudopotential to ".upf" format using CP2K's ATOM module.
Python MIT License UpdatedSep 1, 2025 -
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pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
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ccgto Public
Correlation consistent Gaussian basis sets for solids
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dlno Public
Forked from fishjojo/dlnoDomain truncated local natural orbital methods
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ohmyzsh Public
Forked from ohmyzsh/ohmyzsh🙃 A delightful community-driven (with 2,000+ contributors) framework for managing your zsh configuration. Includes 300+ optional plugins (rails, git, macOS, hub, docker, homebrew, node, php, python…
Shell MIT License UpdatedNov 20, 2022 -
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pyscf-doc Public
Forked from pyscf/pyscf.github.iopyscf-doc
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fast_sscf Public
A fast and scalable implementation of sigma-SCF
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mpe-mol Public
Many-pair expansion for molecules
Fortran BSD 3-Clause "New" or "Revised" License UpdatedSep 17, 2018 -
gitignore Public
Forked from github/gitignoreA collection of useful .gitignore templates
Creative Commons Zero v1.0 Universal UpdatedAug 28, 2018 -
jekyll-now Public
Forked from barryclark/jekyll-nowBuild a Jekyll blog in minutes, without touching the command line.
CSS MIT License UpdatedJun 1, 2018 -
basic_sciprog Public
Basic exercises for scientific programing
TeX BSD 3-Clause "New" or "Revised" License UpdatedJan 5, 2018 -
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Ising_model Public
A set of C++ programs for classical Monte-Carlo simulations on Ising model
C++ BSD 3-Clause "New" or "Revised" License UpdatedDec 6, 2017 -
tensor4x Public
A C++ template class for sparse four-tensor with 8-fold symmetry
C++ BSD 3-Clause "New" or "Revised" License UpdatedSep 30, 2017 -
QM_2017_SSS_Team3 Public
Forked from MolSSI-Education-Archive/QM_2017_SSS_Team3 -
SSS_2017_QuESt Public
Forked from gevahn/SSS_2017_QuEStThe final project for the MolSSI 2017 summer school.
Python BSD 3-Clause "New" or "Revised" License UpdatedAug 2, 2017 -
oop_sprint Public
Forked from MolSSI-Education-Archive/oop_sprintPython BSD 3-Clause "New" or "Revised" License UpdatedAug 2, 2017 -
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friendly-computing-machine Public
Python BSD 3-Clause "New" or "Revised" License UpdatedJul 25, 2017 -
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