bigbrosci / q-robot
☆24Updated this week
Alternatives and similar repositories for q-robot:
Users that are interested in q-robot are comparing it to the libraries listed below
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆36Updated 5 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 years ago
- quick analysis of vasp calculation☆35Updated 9 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- ☆18Updated 5 years ago
- some toolkits for VASP☆28Updated 3 years ago
- ☆36Updated 5 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆27Updated 4 months ago
- Occupation matrix control modification VASP☆45Updated 5 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆56Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- ☆36Updated 5 years ago
- Some useful vasp scripts and tools☆22Updated 5 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆32Updated 2 years ago
- ☆47Updated 11 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 6 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆35Updated 3 weeks ago
- A VASP calculation monitor. Written in Rust☆26Updated 3 months ago
- Visualize vibrational modes from VASP calculations☆39Updated 2 months ago
- ASE interface for fully constant potential with VASP☆31Updated 5 months ago
- ☆25Updated 2 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆22Updated 5 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆56Updated 3 weeks ago
- DFT post processing tools☆23Updated 7 months ago
- ☆25Updated 2 years ago
- vasp calculation flow☆21Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago