KRICT-DATA / SIMDLinks
☆13Updated 2 years ago
Alternatives and similar repositories for SIMD
Users that are interested in SIMD are comparing it to the libraries listed below
Sorting:
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆14Updated 4 years ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated last year
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆29Updated 4 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 6 months ago
- python workflow for GW-BSE calculation☆30Updated 2 years ago
- ☆13Updated 2 years ago
- Tools for Phono(3)py power users.☆34Updated last year
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated 2 years ago
- ☆22Updated 2 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- ☆18Updated 6 years ago
- ☆14Updated last month
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆19Updated 2 months ago
- Visualize vibrational modes from VASP calculations☆43Updated 9 months ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆14Updated 5 years ago
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 5 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆21Updated 5 months ago
- ☆16Updated 5 years ago
- cif2cell compatible with Python 3+☆12Updated 3 years ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- ☆23Updated 10 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆32Updated 11 months ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- Electro-Chemical Optimizer☆12Updated 6 months ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆30Updated last year
- Automation of VASP DFT workflows with ASE - application scripts☆13Updated 2 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆42Updated last year
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year