wojdyr / gosamLinks
generator of simple atomistic models
☆28Updated 7 years ago
Alternatives and similar repositories for gosam
Users that are interested in gosam are comparing it to the libraries listed below
Sorting:
- A module for ASE for elastic constants calculation.☆47Updated 10 months ago
- A grain boundary generation code☆79Updated 2 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆67Updated last year
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆37Updated 9 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 6 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 6 months ago
- LAMMPS interface for phonon calculations using phonopy☆91Updated last month
- Phonon anharmonicity analysis from molecular dynamics☆134Updated 2 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- ☆60Updated 3 years ago
- potfit force-matching code☆42Updated last year
- Site-Occupation Disorder☆47Updated 7 months ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated last month
- Python interface for VASP☆88Updated this week
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- A plugin to AiiDA for running simulations with VASP☆57Updated last week
- Some scripting tools used for lammps input or output☆62Updated 6 months ago
- Examples demonstrating how to reproduce the results in the paper.☆65Updated last year
- quick analysis of vasp calculation☆38Updated last year
- Generate random alloys and compute various properties☆63Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- Blender extensions for illustrations of phonons☆67Updated 6 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆67Updated last month
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated 3 months ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆103Updated last year
- A Python suite for manipulating VASP input and output☆48Updated 3 weeks ago