Hartree Fock solver
☆26Apr 1, 2018Updated 8 years ago
Alternatives and similar repositories for hfsolver
Users that are interested in hfsolver are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This notebook is related to the paper: Machine learning in physics: a short guide, to appear on Europhysics Letters (EPL).☆15Jul 16, 2024Updated last year
- A Fortran library for scientific colormaps☆27Mar 23, 2026Updated 2 months ago
- Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities☆38Jun 3, 2026Updated last week
- A Modern Fortran translation of the FITPACK package for curve and surface fitting☆72Feb 24, 2026Updated 3 months ago
- A Modern Fortran sparse matrices gallery☆37Jul 7, 2024Updated last year
- 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.
- Symbiotic computational chemistry; Public repository.☆20Jan 12, 2018Updated 8 years ago
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11May 15, 2024Updated 2 years ago
- auto differentiation for up to 4th derivatives☆16May 31, 2026Updated last week
- Quantum Chemistry Teaching Labs and Exercises☆11Aug 16, 2022Updated 3 years ago
- A collection of utilities written in Modern Fortran☆10Sep 15, 2024Updated last year
- SIMD vectorization backend☆17May 30, 2020Updated 6 years ago
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Vector algebra class for Fortran poor people☆28May 16, 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.
- Interface declarations for basic linear algebra subprograms☆11Jun 7, 2024Updated 2 years ago
- Codata constants for Fortran, C and Python.☆10Updated this week
- Fortran 2018 interface bindings to zlib☆14Jan 20, 2026Updated 4 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Small script for easy creation of makefile for Fortran (standard 90 or higher) projects☆12Apr 22, 2013Updated 13 years ago
- Print an image of a cat to the iTerm2 terminal☆14Feb 7, 2017Updated 9 years ago
- Modern Fortran implementation of `quadprog`☆13Apr 3, 2026Updated 2 months ago
- ☆21Nov 14, 2025Updated 6 months ago
- FPM module to generate module dependency charts☆14Feb 19, 2026Updated 3 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.
- Computational Chemistry☆20Dec 9, 2019Updated 6 years ago
- A Modern Fortran Interface for libpq☆18Mar 5, 2025Updated last year
- Weighted Wang tiling.☆12May 21, 2015Updated 11 years ago
- ForOpenAI - A Fortran library for OpenAI API.☆20Jan 10, 2024Updated 2 years ago
- Fortran 2003 library for B-Splines/NURBS and Computer Aided Design Algorithms☆18Apr 23, 2018Updated 8 years ago
- Polynomials for ML: fast evaluation, batching, differentiation☆14Apr 28, 2026Updated last month
- "<string,string>" hash table in Fortran 2008☆16Mar 20, 2018Updated 8 years ago
- A Fortran BLAS library implemented as a free-format module.☆12Jul 11, 2025Updated 11 months ago
- ☆15Oct 9, 2025Updated 8 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A python module implementing accurate Hartree-Fock Slater orbitals for atoms under spherical symmetry.☆23Sep 7, 2025Updated 9 months ago
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆34Oct 21, 2024Updated last year
- Fortran OOP Library for all algebraic and functional operations with sparse matrices. That is, for matrices where the number of zeros hig…☆18Jul 23, 2020Updated 5 years ago
- QUICK, a GPU-enabled ab intio quantum chemistry software. Now move to the main branch: https://github.com/merzlab/QUICK☆11Jan 19, 2015Updated 11 years ago
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆38Apr 7, 2019Updated 7 years ago
- Modern Fortran wrappers around MPI routines☆36Dec 17, 2025Updated 5 months ago
- Some benchmarks of SymPy☆17Mar 16, 2026Updated 2 months ago