haidi-ustc / maptoolsLinks
A open source program for materials simulation data process, which is mainly based on Pymatgen code
☆23Updated 6 years ago
Alternatives and similar repositories for maptools
Users that are interested in maptools are comparing it to the libraries listed below
Sorting:
- quick analysis of vasp calculation☆38Updated last year
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 6 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- ☆16Updated 5 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 3 years ago
- ☆22Updated 5 years ago
- A code to compute the radial distribution function☆21Updated 6 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- ☆19Updated 6 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Updated 7 years ago
- ☆24Updated last month
- DFT post processing tools☆26Updated last year
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆18Updated 6 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆32Updated 2 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated 2 months ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- ☆12Updated 5 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆34Updated 2 years ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- some toolkits for VASP☆32Updated 4 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆33Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated 3 weeks ago
- vasp calculation flow☆22Updated 2 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Occupation matrix control modification VASP☆52Updated 6 years ago
- Some ongoing projects in Zhu's group☆28Updated last year
- A code for generating irreducible site-occupancy configurations☆51Updated last year
- ☆12Updated 7 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago