sozykinsa / GUI4dftLinks
GUI4dft - first free SIESTA oriented GUI
☆27Updated last week
Alternatives and similar repositories for GUI4dft
Users that are interested in GUI4dft are comparing it to the libraries listed below
Sorting:
- quick analysis of vasp calculation☆38Updated last year
- ☆36Updated 6 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- A Python suite for manipulating VASP input and output☆49Updated 2 months 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…☆56Updated 6 years ago
- Occupation matrix control modification VASP☆53Updated 6 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆58Updated 2 years ago
- DFT post processing tools☆26Updated last year
- Site-Occupation Disorder☆49Updated 9 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- Examples of using the Atomic Simulation Environment☆39Updated 9 years ago
- ☆22Updated 2 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆29Updated 6 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆42Updated last year
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆46Updated 7 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated 2 months ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago
- Amateurish molecular electronic structure program.(for linux)☆23Updated 9 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆83Updated 8 months ago
- A code to compute the radial distribution function☆21Updated 6 years ago
- Band unfolding for phonons☆58Updated last year
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- potfit force-matching code☆42Updated last year
- ☆29Updated last year
- Python package to analyse electron density & electrostatic potential grids☆89Updated 3 weeks ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆34Updated last year
- Band structure unfolding made easy!☆59Updated last month
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36Updated 4 months ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- Modeling and Crystallographic Utilities☆52Updated 2 years ago