PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
☆28Jul 11, 2026Updated 3 weeks ago
Alternatives and similar repositories for qmd-progress
Users that are interested in qmd-progress are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The Basic Matrix Library (bml)☆45Aug 5, 2025Updated last year
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- Library for calculating exact ligand cone angles☆14Aug 21, 2022Updated 3 years ago
- Generate isosurface from density data☆14May 21, 2026Updated 2 months 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 macro preprocessor for Fortran☆19Mar 9, 2022Updated 4 years ago
- Compilation of libraries and applications made easy☆10Updated this week
- Tight Binding Machine Learning Toolkit☆47Dec 2, 2025Updated 8 months ago
- Minimal Jupyter Fortran kernel☆11Jan 11, 2022Updated 4 years ago
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Sep 11, 2025Updated 10 months ago
- Modern Fortran wrappers around ScaLAPACK routines☆18Jul 5, 2026Updated last month
- Cookiecutter templates for creating modern Fortran projects that are ready to build, run, test, and install☆18Nov 12, 2024Updated last year
- Developer repository for the LATTE code☆49Feb 23, 2026Updated 5 months ago
- Interpolation in 2D and 3D, object-oriented interfaces☆16Jul 5, 2022Updated 4 years 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.
- ☆26Jul 16, 2026Updated 3 weeks ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆14Oct 7, 2019Updated 6 years ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆13Jun 26, 2026Updated last month
- A Computational Chemistry DataBase☆44Jun 28, 2021Updated 5 years ago
- ☆23Jan 25, 2023Updated 3 years ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆45Jul 8, 2026Updated last month
- Basic programs for generating Slater-Koster files for the DFTB-method☆30Feb 6, 2025Updated last year
- Porosity analysis tool☆19Oct 22, 2021Updated 4 years ago
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 3 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.
- Integration of the Fortran standard library in CMake projects☆17Sep 11, 2021Updated 4 years ago
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 4 years ago
- Library first implementation of the D3 dispersion correction☆87Updated this week
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 6 years ago
- Curatable database for experimental and theoretical data on solid materials.☆13Sep 21, 2025Updated 10 months ago
- Material for the workshop at FortranCon 2020☆19Jul 11, 2020Updated 6 years ago
- Workflow for CONNectivity preserving Geometry Optimization☆11Sep 2, 2021Updated 4 years ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆30Jan 23, 2024Updated 2 years ago
- Geometric analysis of crystal structures☆16Jun 16, 2022Updated 4 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- QuAcK: a software for emerging quantum electronic structure methods☆34Jul 23, 2026Updated 2 weeks ago
- Fortran bindings to the FLANN library for performing fast approximate nearest neighbor searches in high dimensional spaces.☆15Jun 29, 2025Updated last year
- General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations☆11Dec 22, 2021Updated 4 years ago
- A tool for calculating distortion parameters in coordination complexes.☆20Apr 16, 2026Updated 3 months ago
- Molar is a database management to make it easy to store experiment whether computational or not☆11Jul 15, 2022Updated 4 years ago
- Scripts and instructions for deploying ORCA quantum chemistry program on Linux.☆17Jan 14, 2026Updated 6 months ago
- Code examples from Rouson, Xia & Xu (Cambridge University Press, 2011)☆43Jan 21, 2021Updated 5 years ago