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wicked Public
Forked from fevangelista/wickedA Wick theorem kernel written in C++ and interfaced with Python
C++ MIT License UpdatedSep 20, 2024 -
pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
Python Apache License 2.0 UpdatedSep 3, 2024 -
block2-preview Public
Forked from block-hczhai/block2-previewEfficient parallel quantum chemistry DMRG in MPO formalism
C++ GNU General Public License v3.0 UpdatedJul 9, 2024 -
vmd_cube Public
Forked from fevangelista/vmd_cubeA Python script for rendering cube files generated by Psi4
Python MIT License UpdatedJun 23, 2024 -
prism Public
Forked from sokolov-group/prismPython-based implementation of electronic structure theories for simulating spectroscopic properties
Python GNU General Public License v3.0 UpdatedJun 21, 2024 -
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forte Public
Forked from evangelistalab/forteC++ GNU Lesser General Public License v3.0 UpdatedApr 23, 2024 -
staged-recipes Public
Forked from conda-forge/staged-recipesA place to submit conda recipes before they become fully fledged conda-forge feedstocks
Python BSD 3-Clause "New" or "Revised" License UpdatedSep 7, 2023 -
ferminet Public
Forked from google-deepmind/ferminetAn implementation of the Fermionic Neural Network for ab-initio electronic structure calculations
Python Apache License 2.0 UpdatedAug 10, 2023 -
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Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
C++ GNU Lesser General Public License v3.0 UpdatedMay 2, 2023 -
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lightspeed Public
Forked from robparrish/lightspeedLightspeed: An ultralight C++/Python library for electronic structure theory development
C++ Other UpdatedJun 17, 2022 -
An optimised, parallelised applet that performs electronic structure calculations up to the completely renormalized CCSD(T) (CR-CCSD(T)) theory level.
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fortran-tensor-benchmarking Public
A simple script to benchmark, and hopefully illustrate good practices of tensor operations in Modern Fortran
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A coding tutorial for modern quantum chemistry, in modern Fortran
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davidson_solver Public
A modern Fortran implementation of Davidson's method of sparse matrix diagonalisation
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md-mcmc Public
Some notebooks to run simple molecular dynamics (MD) or Markov chain Monte Carlo (McMC) simulations.
Jupyter Notebook UpdatedNov 23, 2021 -
tight-binding Public
Illustrates the main features of the Su-Schrieffer-Heeger (SSH) model, the simplest topological material.
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brianz98.github.io Public
Forked from academicpages/academicpages.github.ioGithub Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
JavaScript MIT License UpdatedJun 14, 2021 -
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