Top 7 C++ quantum-chemistry Projects
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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 performance portable GPU support
Project mention: Qmcpack – Many-body Quantum Monte Carlo for structure of atoms,molecules,solids | news.ycombinator.com | 2023-04-22 -
WorkOS
The modern identity platform for B2B SaaS. The APIs are flexible and easy-to-use, supporting authentication, user identity, and complex enterprise features like SSO and SCIM provisioning.
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HartreeFock
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
For this one I used my own code that draws the chart: https://github.com/aromanro/HartreeFock
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InfluxDB
Power Real-Time Data Analytics at Scale. Get real-time insights from all types of time series data with InfluxDB. Ingest, query, and analyze billions of data points in real-time with unbounded cardinality.
C++ quantum-chemistry related posts
Index
What are some of the best open-source quantum-chemistry projects in C++? This list will help you:
Project | Stars | |
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1 | psi4 | 910 |
2 | qmcpack | 276 |
3 | dftcxx | 51 |
4 | HartreeFock | 49 |
5 | hfcxx | 28 |
6 | VQMCMolecule | 13 |
7 | atrip | 3 |