☆25Nov 5, 2025Updated 4 months ago
Alternatives and similar repositories for libintx
Users that are interested in libintx are comparing it to the libraries listed below
Sorting:
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆47Mar 2, 2026Updated 2 weeks ago
- Reusable DFT Grids for the Masses☆19Feb 6, 2026Updated last month
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆28Jan 20, 2026Updated 2 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- A modern C++ library for high-performance configuration interaction methods☆20Feb 3, 2026Updated last month
- An example to implement PBC SCF☆14Jul 10, 2018Updated 7 years ago
- Ab Initio Energies☆10Nov 22, 2025Updated 4 months ago
- ☆60Mar 2, 2026Updated 2 weeks ago
- Multi-collinear functional☆10Feb 12, 2026Updated last month
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆70Mar 5, 2026Updated 2 weeks ago
- ☆13Updated this week
- ☆66Jun 15, 2025Updated 9 months ago
- Libint: high-performance library for computing Gaussian integrals in quantum mechanics☆261Updated this week
- Numerical integration grid for molecules.☆50Feb 3, 2026Updated last month
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆24Nov 7, 2025Updated 4 months ago
- Reference implementation of GW☆13Jul 22, 2019Updated 6 years ago
- TREX I/O library☆65Feb 10, 2026Updated last month
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated last year
- Fast, hackable molecular integrals☆13Jan 20, 2026Updated 2 months ago
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated last month
- Fast computation of a gaussian and its derivative on a grid.☆31Sep 26, 2025Updated 5 months ago
- Amateurish molecular electronic structure program.(for linux)☆23Nov 1, 2016Updated 9 years ago
- Gold-Standard Chemical Database 138 (GSCDB138)☆33Updated this week
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 4 years ago
- Fast continuum solvation based on domain decomposition☆27Nov 5, 2025Updated 4 months ago
- JIT-compiled GPU kernels for quantum chemistry☆31Jan 30, 2026Updated last month
- Python library for numerical integration, interpolation, and differentiation on (molecular) grids.☆88Feb 8, 2026Updated last month
- An interface program between Gaussian and CFour.☆13Sep 18, 2023Updated 2 years ago
- QUICK: A GPU-enabled ab intio quantum chemistry software package☆199Updated this week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆86Jun 8, 2024Updated last year
- general GTO integrals for quantum chemistry☆245Nov 16, 2025Updated 4 months ago
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- The mainline development distribution for QWalk☆35Sep 30, 2019Updated 6 years ago
- Python client for TeraChem Cloud☆13Jun 19, 2025Updated 9 months ago
- MRH's research code☆26Updated this week
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆58Jan 10, 2026Updated 2 months ago
- C++ Library for Electrostatics☆20Sep 19, 2025Updated 6 months ago