JMSkelton / VASP-GPU-BenchmarkingLinks
A project to benchmark the performance of the GPU-enabled versions of VASP on the University of Bath's HPC cluster.
☆15Updated 8 years ago
Alternatives and similar repositories for VASP-GPU-Benchmarking
Users that are interested in VASP-GPU-Benchmarking are comparing it to the libraries listed below
Sorting:
- Some useful vasp scripts and tools☆22Updated 5 years ago
- ☆27Updated last year
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆15Updated 2 years ago
- ☆29Updated last year
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 2 years ago
- ☆17Updated 7 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Updated 7 years ago
- Python framework for generating and validating pseudo potentials☆44Updated last year
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆13Updated 2 years ago
- Python interface for VASP☆85Updated this week
- A collection of command line utilities for manipulating VASP input / outpu☆25Updated 3 years ago
- The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials☆20Updated last year
- Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite☆21Updated last year
- Phonon for AiiDA☆20Updated 2 weeks ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- quick analysis of vasp calculation☆36Updated last year
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆112Updated last month
- Examples for the TB2J code☆16Updated last year
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated 8 months ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆43Updated 9 months ago
- Modeling and Crystallographic Utilities☆50Updated 2 years ago
- A Basic Symmetry Module (Python)☆17Updated 4 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆30Updated 9 months ago
- A test suite for the VASP electronic structure code☆39Updated 11 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆50Updated last week