C++ and Python library for Polarizable Embedding
☆23Apr 27, 2026Updated 2 months ago
Alternatives and similar repositories for cppe
Users that are interested in cppe 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
- adcc: Seamlessly connect your program to ADC☆41Updated this week
- An API for the Polarizable Continuum Model☆38May 31, 2023Updated 3 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Sep 11, 2017Updated 8 years ago
- optking: A molecular geometry optimization program☆27Jun 1, 2026Updated 3 weeks ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- Open Orbital Optimizer☆35May 21, 2026Updated last month
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 6 years ago
- Python interface for Q-Chem☆24May 27, 2026Updated last month
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- Automatic code generation of Fast Multipole and Barnes-Hut operators☆17Oct 25, 2022Updated 3 years ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago
- Program for Molecular Fock Dirac calculations☆12Apr 16, 2020Updated 6 years ago
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆104Feb 11, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Python-based Fermi-Löwdin orbital self-interaction-correction☆23Oct 7, 2022Updated 3 years ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆26Aug 22, 2023Updated 2 years ago
- QMC=Chem version 2☆20Dec 30, 2025Updated 5 months ago
- Donostia Natural Orbital Functional Software☆26May 18, 2026Updated last month
- gammcor code☆11Mar 10, 2026Updated 3 months ago
- A simple cube file viewer based on pythreejs☆24Apr 15, 2026Updated 2 months ago
- TBLIS is a library and framework for performing tensor operations, especially tensor contraction, using efficient native algorithms.☆144Apr 24, 2026Updated 2 months ago
- Exchange correlation functionals translated from libxc to jax☆52Mar 24, 2025Updated last year
- software package for tight-binding DFT calculations on ground and excited states of molecules☆13Feb 13, 2020Updated 6 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Multi-collinear functional☆10Feb 12, 2026Updated 4 months ago
- Numerical integration grid for molecules.☆50Apr 14, 2026Updated 2 months ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 22, 2026Updated last week
- ☆15Jun 1, 2026Updated 3 weeks ago
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- MRH's research code☆28Updated this week
- Ab Initio Energies☆10Nov 22, 2025Updated 7 months ago
- Dyson equation solvers for Green's function methods☆12May 11, 2026Updated last month
- ☆61Mar 2, 2026Updated 3 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆89Jun 8, 2024Updated 2 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Nov 30, 2022Updated 3 years ago
- SOC integrals generator with atomic mean field approximation☆10Apr 26, 2026Updated 2 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Jul 15, 2025Updated 11 months ago
- ☆19Apr 30, 2026Updated last month