An open-source library for reduced-density matrix-based analysis and computation
☆20Apr 2, 2023Updated 3 years ago
Alternatives and similar repositories for OpenRDM
Users that are interested in OpenRDM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Donostia Natural Orbital Functional Software☆24Mar 3, 2026Updated last month
- gammcor code☆11Mar 10, 2026Updated last month
- Dyson equation solvers for Green's function methods☆12Feb 25, 2026Updated last month
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- A very simple quantum chemistry program☆10Jan 4, 2019Updated 7 years ago
- A modern C++ library for high-performance configuration interaction methods☆20Feb 3, 2026Updated 2 months ago
- Program for Molecular Fock Dirac calculations☆12Apr 16, 2020Updated 5 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Mar 10, 2021Updated 5 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Mar 31, 2026Updated last week
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Realtime Extensions to PySCF (TDDFT etc.)☆11Sep 11, 2017Updated 8 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆32Apr 3, 2026Updated last week
- Library for local orbital scaling correction (LOSC).☆18Jul 4, 2024Updated last year
- Fast computation of a gaussian and its derivative on a grid.☆31Sep 26, 2025Updated 6 months ago
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 8 years ago
- A Python package for wave function-based quantum embedding☆40Mar 31, 2026Updated last week
- Transfrormation between Cartesian coordinates and redundant internal coordinates☆26Jun 2, 2022Updated 3 years ago
- An open source program for the description of metastable electronic states in molecules.☆24Mar 10, 2026Updated last month
- Automated workflow to predict multireference character of molecules in quantum chemistry calculation☆23Nov 3, 2022Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 10 months ago
- Quantum Chemistry Teaching Labs and Exercises☆11Aug 16, 2022Updated 3 years ago
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated last month
- Set of tools for trexio files☆19Oct 27, 2025Updated 5 months ago
- Reference implementation of GW☆13Jul 22, 2019Updated 6 years ago
- A CUDA-implementation of linear-scaling quantum transport methods☆28Sep 28, 2023Updated 2 years ago
- A package for plotting and manipulating 1D spectra☆12Jul 30, 2024Updated last year
- Natural-orbital Functional based on PySCF☆10Aug 27, 2024Updated last year
- Multi-collinear functional☆10Feb 12, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- A simple cube file viewer based on pythreejs☆25Sep 4, 2023Updated 2 years ago
- ☆15Mar 3, 2026Updated last month
- An MPO-based DMRG code for Quantum Chemistry☆13Jul 11, 2018Updated 7 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Jul 12, 2020Updated 5 years ago
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆19Oct 5, 2019Updated 6 years ago