☆30Nov 5, 2025Updated 11 months ago
Alternatives and similar repositories for libintx
Users that are interested in libintx are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Reusable DFT Grids for the Masses☆19Sep 4, 2026Updated last month
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆54Sep 23, 2026Updated 2 weeks ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆29Jun 12, 2026Updated 3 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆30Sep 11, 2026Updated 3 weeks ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆24Updated this week
- A modern C++ library for high-performance configuration interaction methods☆23Apr 27, 2026Updated 5 months ago
- An example to implement PBC SCF☆14Jul 10, 2018Updated 8 years ago
- ☆63Mar 2, 2026Updated 7 months ago
- Ab Initio Energies☆10Aug 3, 2026Updated 2 months ago
- Python bindings for TBLIS☆19Sep 14, 2026Updated 3 weeks ago
- Multi-collinear functional☆11Feb 12, 2026Updated 7 months ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated 2 years ago
- JIT-compiled GPU kernels for quantum chemistry☆36Jan 30, 2026Updated 8 months ago
- 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.
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆72Sep 30, 2026Updated last week
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 11 months ago
- ☆19Aug 9, 2026Updated 2 months ago
- Libint: high-performance library for computing Gaussian integrals in quantum mechanics☆266Sep 29, 2026Updated last week
- Numerical integration grid for molecules.☆52Aug 17, 2026Updated last month
- Reference implementation of GW☆13Jul 22, 2019Updated 7 years ago
- ☆72Jun 15, 2025Updated last year
- TREX I/O library☆76Updated this week
- Gold-Standard Chemical Database 138 (GSCDB138)☆43Sep 6, 2026Updated last month
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 22, 2026Updated 3 months ago
- Fast, hackable molecular integrals☆13Jan 20, 2026Updated 8 months ago
- Fast computation of a gaussian and its derivative on a grid.☆32May 20, 2026Updated 4 months ago
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated 7 months ago
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 5 years ago
- Amateurish molecular electronic structure program.(for linux)☆25Nov 1, 2016Updated 9 years ago
- Open Computational Chemistry in C++☆34Updated this week
- Fast continuum solvation based on domain decomposition☆32Oct 2, 2026Updated last week
- Open Orbital Optimizer☆38Aug 26, 2026Updated last month
- 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.
- ☆131Jul 7, 2026Updated 3 months ago
- QUICK: A GPU-enabled ab intio quantum chemistry software package☆220Updated this week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆90Jun 8, 2024Updated 2 years ago
- The mainline development distribution for QWalk☆36Sep 30, 2019Updated 7 years ago
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- general GTO integrals for quantum chemistry☆252Jun 21, 2026Updated 3 months ago
- A repository for quantum chemistry basis sets☆202Aug 25, 2026Updated last month