☆30Nov 5, 2025Updated 10 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 2 weeks ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆54Aug 10, 2026Updated last month
- 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☆29Sep 11, 2026Updated last week
- 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.
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆23Updated this week
- A modern C++ library for high-performance configuration interaction methods☆23Apr 27, 2026Updated 4 months ago
- An example to implement PBC SCF☆14Jul 10, 2018Updated 8 years ago
- Python bindings for TBLIS☆19Updated this week
- ☆62Mar 2, 2026Updated 6 months ago
- Ab Initio Energies☆10Aug 3, 2026Updated last month
- Multi-collinear functional☆11Feb 12, 2026Updated 7 months ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- JIT-compiled GPU kernels for quantum chemistry☆36Jan 30, 2026Updated 7 months 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.
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆72Jul 31, 2026Updated last month
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 10 months ago
- ☆19Aug 9, 2026Updated last month
- Libint: high-performance library for computing Gaussian integrals in quantum mechanics☆266Jun 9, 2026Updated 3 months ago
- Numerical integration grid for molecules.☆52Aug 17, 2026Updated last month
- ☆71Jun 15, 2025Updated last year
- Reference implementation of GW☆13Jul 22, 2019Updated 7 years ago
- TREX I/O library☆74Sep 8, 2026Updated last week
- Gold-Standard Chemical Database 138 (GSCDB138)☆43Sep 6, 2026Updated 2 weeks 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.
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 22, 2026Updated 2 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☆31Updated this week
- Open Orbital Optimizer☆38Aug 26, 2026Updated 3 weeks 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.
- ☆129Jul 7, 2026Updated 2 months ago
- QUICK: A GPU-enabled ab intio quantum chemistry software package☆220Aug 31, 2026Updated 2 weeks ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆90Jun 8, 2024Updated 2 years ago
- MRH's research code☆32Updated this week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆25Updated this week
- The mainline development distribution for QWalk☆35Sep 30, 2019Updated 6 years ago
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago