haidi-ustc / maptoolLinks
Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.
☆17Updated 3 years ago
Alternatives and similar repositories for maptool
Users that are interested in maptool are comparing it to the libraries listed below
Sorting:
- A script for calculating Fermi-Softness.☆13Updated 3 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated 2 years ago
- Some useful vasp scripts and tools☆22Updated 6 years ago
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆23Updated 6 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 3 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Updated 5 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated last year
- Visualizations☆14Updated 3 years ago
- ☆12Updated 7 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- quick analysis of vasp calculation☆38Updated last year
- ☆24Updated 2 months ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- DFT post processing tools☆26Updated last year
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Updated 5 years ago
- ☆22Updated 2 years ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 3 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Updated 3 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Updated 6 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 11 months ago
- This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(…☆20Updated 3 weeks ago
- Some examples of using pymatgen code☆23Updated last year
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 4 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆29Updated 6 months ago
- vasp calculation flow☆22Updated 2 years ago
- ☆16Updated 5 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- ☆12Updated 5 years ago