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The Top 23 C Plus Plus Quantum Chemistry Open Source Projects

Open source projects categorized as C Plus Plus Quantum Chemistry
Categories > Programming Languages > C Plus Plus
Categories > Science > Quantum Chemistry
Psi4 ⭐ 875
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
most recent commit 4 months ago
Qmcpack ⭐ 273
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 performance portable GPU support
most recent commit 3 months ago
Sparrow ⭐ 71
dependent packages 1total releases 3most recent commit 6 months ago
Block2 Preview ⭐ 51
Efficient parallel quantum chemistry DMRG in MPO formalism
total releases 23most recent commit 4 months ago
Forte ⭐ 46
most recent commit 4 months ago
Dftcxx ⭐ 45
C++ based DFT program for educational purposes
most recent commit a year ago
Hartreefock ⭐ 41
A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
most recent commit 9 months ago
Gqcp ⭐ 29
The Ghent Quantum Chemistry Package for electronic structure calculations
most recent commit 5 months ago
Hfcxx ⭐ 25
Hartree-Fock C++ code
most recent commit a year ago
Serenity ⭐ 24
The release-only repository of the subsystem focused quantum chemistry code Serenity
most recent commit 6 months ago
Qcmaquis ⭐ 20
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
most recent commit a year ago
Cppe ⭐ 18
C++ and Python library for Polarizable Embedding
dependent packages 1total releases 3most recent commit 7 months agopypi cppe} Downloads
Readuct ⭐ 16
most recent commit 6 months ago
Openrdm ⭐ 16
An open-source library for reduced-density matrix-based analysis and computation
most recent commit a year ago
Vqmcmolecule ⭐ 11
Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach
most recent commit 9 months ago
Qppcad ⭐ 8
molecule and crystal editor written in c++
most recent commit 3 years ago
Integratorxx ⭐ 8
Reusable DFT Grids for the Masses
most recent commit 4 months ago
Cc4s ⭐ 7
Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
most recent commit a year ago
Cpp D4 ⭐ 6
C++ port of DFT-D4
most recent commit 4 months ago
Orbitalperturbation ⭐ 6
Utility for the perturbation of molecular orbitals delivered by standard quantum chemical packages
most recent commit 7 years ago
Ht Grouper ⭐ 6
Hardware-tailored grouping for Pauli measurements
most recent commit 5 months ago
Utilities ⭐ 6
most recent commit 6 months ago
Occ ⭐ 5
Open Computational Chemistry in C++
most recent commit 4 months ago
The 2 Most Depended On C Plus Plus Quantum Chemistry Open Source Projects
Cppe ⭐ 18
C++ and Python library for Polarizable Embedding
dependent packages 1total releases 3latest release October 29, 2020most recent commit 7 months agopypi cppe} Downloads
Sparrow ⭐ 71
dependent packages 1total releases 3latest release September 14, 2022most recent commit 6 months ago
The 3 Latest Releases In C Plus Plus Quantum Chemistry Open Source Projects
Block2 Preview ⭐ 51
Efficient parallel quantum chemistry DMRG in MPO formalism
total releases 23latest release October 17, 2023most recent commit 4 months ago
Sparrow ⭐ 71
dependent packages 1total releases 3latest release September 14, 2022most recent commit 6 months ago
Cppe ⭐ 18
C++ and Python library for Polarizable Embedding
dependent packages 1total releases 3latest release October 29, 2020most recent commit 7 months agopypi cppe} Downloads
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