lingtikong / latgenLinks
Code to generate crystalline lattice with different orientations.
☆9Updated 4 months ago
Alternatives and similar repositories for latgen
Users that are interested in latgen are comparing it to the libraries listed below
Sorting:
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆19Updated last week
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆22Updated 5 years ago
- quick analysis of vasp calculation☆36Updated last year
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 2 years ago
- ☆27Updated last year
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Updated 4 years ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 11 months ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆34Updated 9 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 5 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- DensityTool post-processing program for VASP☆31Updated last year
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Updated 2 years ago
- Interatomic potential creating using DFT training data.☆27Updated 5 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- ☆14Updated 5 years ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆50Updated last week
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Compressive sensing lattice dynamics☆28Updated 5 months ago
- ☆12Updated last year
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- TDEP Tutorials☆32Updated 2 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆33Updated 2 years ago
- NIST Interatomic Potential Repository property calculation tools☆12Updated this week
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Geometric analysis of crystal structures☆15Updated 3 years ago
- ☆26Updated 7 months ago