KRICT-DATA / SIMDLinks
☆11Updated 2 years ago
Alternatives and similar repositories for SIMD
Users that are interested in SIMD are comparing it to the libraries listed below
Sorting:
- ☆23Updated last year
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆14Updated 4 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- ☆18Updated 6 years ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated last year
- python workflow for GW-BSE calculation☆28Updated 2 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆28Updated last month
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 6 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 8 months ago
- ☆14Updated last month
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 5 years ago
- Random symmetric initialization of crystals☆22Updated 7 years ago
- quick analysis of vasp calculation☆36Updated last year
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated 2 months ago
- Data-driven risk-conscious thermoelectric materials discovery☆16Updated last week
- Gaussian and Lorentzian smearing of simulated spectra☆40Updated 9 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 3 months ago
- Electro-Chemical Optimizer☆12Updated 3 months ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…