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:
- A Fortran library for scientific colormaps☆26Mar 23, 2026Updated 5 months ago
- This notebook is related to the paper: Machine learning in physics: a short guide, to appear on Europhysics Letters (EPL).☆15Jul 16, 2024Updated 2 years ago
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11May 15, 2024Updated 2 years ago
- Symbiotic computational chemistry; Public repository.☆20Jan 12, 2018Updated 8 years ago
- Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities☆38Updated this 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 Modern Fortran sparse matrices gallery☆36Jul 7, 2024Updated 2 years ago
- A Modern Fortran translation of the FITPACK package for curve and surface fitting☆74Sep 13, 2026Updated last week
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 4 years ago
- auto differentiation for up to 4th derivatives☆16May 31, 2026Updated 3 months ago
- A collection of utilities written in Modern Fortran☆10Sep 15, 2024Updated 2 years ago
- SIMD vectorization backend☆17May 30, 2020Updated 6 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago
- Vector algebra class for Fortran poor people☆28Jul 1, 2026Updated 2 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.
- Interface declarations for basic linear algebra subprograms☆11Jun 7, 2024Updated 2 years ago
- Codata constants for Fortran, C and Python.☆10Sep 12, 2026Updated last week
- Fortran 2018 interface bindings to zlib☆14Jan 20, 2026Updated 8 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Print an image of a cat to the iTerm2 terminal☆14Feb 7, 2017Updated 9 years ago
- Small script for easy creation of makefile for Fortran (standard 90 or higher) projects☆12Apr 22, 2013Updated 13 years ago
- Modern Fortran implementation of `quadprog`☆13Apr 3, 2026Updated 5 months ago
- A Fortran BLAS library implemented as a free-format module.☆12Jul 11, 2025Updated last year
- FPM module to generate module dependency charts☆16Feb 19, 2026Updated 7 months ago
- 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.
- Computational Chemistry☆20Dec 9, 2019Updated 6 years ago
- Weighted Wang tiling.☆12May 21, 2015Updated 11 years ago
- A Modern Fortran Interface for libpq☆18Mar 5, 2025Updated last year
- A python module implementing accurate Hartree-Fock Slater orbitals for atoms under spherical symmetry.☆27Jun 25, 2026Updated 2 months ago
- Fortran 2003 library for B-Splines/NURBS and Computer Aided Design Algorithms☆18Apr 23, 2018Updated 8 years ago
- ForOpenAI - A Fortran library for OpenAI API.☆19Jan 10, 2024Updated 2 years ago
- Polynomials for ML: fast evaluation, batching, differentiation☆14Jun 17, 2026Updated 3 months ago
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆16Jun 11, 2026Updated 3 months ago
- ☆15Oct 9, 2025Updated 11 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.
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆34Oct 21, 2024Updated last year
- "<string,string>" hash table in Fortran 2008☆16Mar 20, 2018Updated 8 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
- 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 6 years ago
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆37Apr 7, 2019Updated 7 years ago
- Modern Fortran wrappers around MPI routines☆36Dec 17, 2025Updated 9 months ago
- Some benchmarks of SymPy☆18Jul 30, 2026Updated last month