Plug-in to accelerate Quantum ESPRESSO v5 using NVIDIA GPU
☆33Feb 23, 2017Updated 9 years ago
Alternatives and similar repositories for qe-gpu-plugin
Users that are interested in qe-gpu-plugin are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆68Jan 29, 2020Updated 6 years ago
- Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids…☆19Dec 18, 2020Updated 5 years ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago
- A wrapper for Multiwfn (Linux) written in bash.☆11Sep 10, 2019Updated 7 years ago
- Set of utilities for using Quantum-Espresso with ASE and ipython notebooks.☆12Jul 31, 2017Updated 9 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Nek5000☆10May 15, 2016Updated 10 years ago
- GPU-accelerated coupled cluster with density fitting☆19Jun 26, 2018Updated 8 years ago
- Official mirror of Quantum ESPRESSO☆49Jan 27, 2018Updated 8 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 6 years ago
- [DEPRECATED] Please use https://github.com/QEF/q-e instead☆43Jan 9, 2016Updated 10 years ago
- ☆19Oct 24, 2018Updated 8 years ago
- Open source graphical interface to various DFT/Quantum chemistry codes☆18Dec 8, 2022Updated 3 years ago
- Real-time TDDFT for Quantum-Espresso☆26Aug 31, 2026Updated 2 months ago
- Quantum Chemistry speed test☆11Feb 2, 2014Updated 12 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Theoretical ROVibrational Energies: A variational program for accurate nuclear motion calculations☆21Oct 25, 2026Updated last week
- Tools for reformatting the opentype spec☆12Dec 16, 2025Updated 10 months ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Nov 17, 2022Updated 3 years ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated last year
- A Python framework for propagating the time dependent Schrödinger equation☆16Aug 23, 2011Updated 15 years ago
- Python modules for electron–phonon models☆41Sep 16, 2026Updated last month
- Simple LBM kernels for benchmarking and performance evaluation☆14Jun 6, 2018Updated 8 years ago
- baseline subtraction algorithms including ALS-based (ALS, psalsa and derpsalsa), morphological and wavelet-based☆12Sep 10, 2021Updated 5 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73Sep 12, 2026Updated last month
- 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.
- Simple spill-to-disk dictionary☆63Jan 31, 2022Updated 4 years ago
- OpenMP GPU Accelerated Applications☆13Nov 20, 2025Updated 11 months ago
- 1d time dependent Schrodinger equation solver, using the finite difference method.☆11Jul 20, 2023Updated 3 years ago
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 4 years ago
- Yet another telegram bot. This one is a poet.☆16May 9, 2021Updated 5 years ago
- X11 forwarding for SLURM☆10Nov 15, 2016Updated 9 years ago
- MaPhi is a program written in python for Linux, which compute descriptors for a set of molecules for chemoinformatics studies.☆14Jan 27, 2023Updated 3 years ago
- A library to interface molecules and machine learning.☆62Jul 31, 2019Updated 7 years ago
- Demystify the undocumented Quantum ESPRESSO input/output☆12Jan 28, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- python reader for Andor sif file☆13Sep 28, 2020Updated 6 years ago
- A simple example of how to bind C++ code in Python☆14Nov 13, 2020Updated 5 years ago
- ☆12Sep 8, 2016Updated 10 years ago
- Files to theme your LaTeX Beamer presentation to match the University of Chicago colors.☆17May 1, 2020Updated 6 years ago
- Solving for 1-d GaAs quantum well using finite differences to solve Schrodinger's and Poisson's equation in MATLAB☆10Sep 4, 2015Updated 11 years ago
- GROMACS input files☆19May 17, 2023Updated 3 years ago
- Structured PIC proxy app based on Cabana☆15Jun 30, 2025Updated last year