sozykinsa / GUI4dftLinks
GUI4dft - first free SIESTA oriented GUI
☆26Updated 2 months ago
Alternatives and similar repositories for GUI4dft
Users that are interested in GUI4dft are comparing it to the libraries listed below
Sorting:
- ☆36Updated 5 years ago
- quick analysis of vasp calculation☆36Updated last year
- Examples of using the Atomic Simulation Environment☆36Updated 9 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 3 months ago
- Site-Occupation Disorder☆43Updated 4 months ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- A Python suite for manipulating VASP input and output☆46Updated 3 weeks ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆30Updated 9 months ago
- A module for ASE for elastic constants calculation.☆46Updated 6 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Updated 9 years ago
- ☆23Updated 2 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 7 months ago
- A code to compute the radial distribution function☆21Updated 6 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆55Updated 6 years ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆45Updated last month
- Amateurish molecular electronic structure program.(for linux)☆23Updated 8 years ago
- Band structure unfolding made easy!☆53Updated this week
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆72Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 3 months ago
- Python interface for VASP☆85Updated this week
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated 2 years ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- ☆42Updated 7 years ago
- A plugin to AiiDA for running simulations with VASP☆55Updated last week
- high dimensional neural network potential☆22Updated 2 years ago
- A collection of crystal structures from first-principles simulations☆34Updated 5 years ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆50Updated this week
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 10 months ago