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    22 repositories

    • forte

      Public
      chemistryquantum-chemistrypsiforteambit
      C++
      •
      GNU Lesser General Public License v3.0
      •31•53•35•14•Updated Dec 27, 2024Dec 27, 2024

    • pyscf

      Public
      Python module for quantum chemistry
      Python
      •
      Apache License 2.0
      •591•0•0•1•Updated Dec 1, 2024Dec 1, 2024

    • evangelistalab.github.io

      Public
      HTML
      •0•0•0•0•Updated Oct 18, 2024Oct 18, 2024

    • qforte

      Public
      Python
      •
      GNU Lesser General Public License v3.0
      •19•50•25•4•Updated Sep 12, 2024Sep 12, 2024

    • psi4

      Public
      Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
      C++
      •
      GNU Lesser General Public License v3.0
      •455•0•0•0•Updated Jul 1, 2024Jul 1, 2024

    • website

      Public
      The Evangelista Lab website
      HTML
      •0•0•0•0•Updated Apr 12, 2024Apr 12, 2024

    • pyscf.github.io

      Public
      PySCF website and documentation
      TeX
      •
      Apache License 2.0
      •55•0•0•0•Updated Jan 4, 2024Jan 4, 2024

    • epictensors

      Public
      Effortless Python Interface to C++ Tensors
      MIT License
      •0•1•0•0•Updated Oct 13, 2023Oct 13, 2023

    • fortecubeview

      Public
      A simple cube file viewer based on pythreejs
      Python
      •
      MIT License
      •4•23•0•0•Updated Sep 4, 2023Sep 4, 2023

    • Resources

      Public
      Resources
      Jupyter Notebook
      •1•0•0•0•Updated Sep 26, 2022Sep 26, 2022

    • ocdft

      Public
      C++
      •1•3•2•0•Updated Sep 2, 2021Sep 2, 2021

    • hydrogen-models-data

      Public
      Reference data for 1-3D hydrogen models of strong correlation
      Roff
      •3•1•0•0•Updated Aug 24, 2020Aug 24, 2020

    • miniforte

      Public
      C++
      •0•0•0•0•Updated Jul 20, 2020Jul 20, 2020

    • hugo-academic

      Public
      📝 The website builder for Hugo. Build and deploy a beautiful website in minutes!
      HTML
      •
      MIT License
      •2.9k•10•0•0•Updated Feb 17, 2020Feb 17, 2020

    • codecov-test

      Public
      CMake
      •
      MIT License
      •0•0•0•1•Updated Feb 15, 2020Feb 15, 2020

    • example-cpp11-cmake

      Public
      CMake
      •
      MIT License
      •63•0•0•0•Updated Dec 1, 2019Dec 1, 2019

    • OpenFermion-Forte

      Public
      OpenFermion plugin to interface with the electronic structure package Forte.
      GNU Lesser General Public License v3.0
      •0•0•0•0•Updated Mar 4, 2019Mar 4, 2019

    • sq

      Public
      A toy second quantization manipulator
      C++
      •0•0•0•0•Updated Feb 28, 2018Feb 28, 2018

    • psi4_pybind11_plugin

      Public
      Template for pure psi4 pybind11 plugins
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Dec 20, 2017Dec 20, 2017

    • psi4_plugin17

      Public
      A Psi4 plugin that uses C++17
      Python
      •0•0•0•0•Updated Nov 14, 2017Nov 14, 2017

    • Data

      Public
      Raw data, supplementary material, notebooks, and notes for our papers
      0•0•0•0•Updated Aug 10, 2016Aug 10, 2016

    • scf_orbital_overlap

      Public
      A simple plugin that allows to compute the overlap between RHF/ROHF orbitals computed with two basis sets
      C++
      •1•0•0•0•Updated Dec 19, 2015Dec 19, 2015