MaterSim / CMSLinks
Some ongoing projects in Zhu's group
☆28Updated last year
Alternatives and similar repositories for CMS
Users that are interested in CMS 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
- A lightweight python package for reading and writing VASP ML_AB files☆38Updated 4 months ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆34Updated last week
- ☆23Updated last year
- quick analysis of vasp calculation☆36Updated last year
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 4 months ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated last year
- TB3Py: Two- and three-body tight-binding calculations for materials☆18Updated 9 months ago
- An interactive viewer☆14Updated 5 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- A command line tool written in Python/C++ for finding optimized SQS structures☆49Updated 2 weeks ago
- Gaussian and Lorentzian smearing of simulated spectra☆40Updated 9 months ago
- ☆17Updated 4 years ago
- A code to compute the radial distribution function☆21Updated 6 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- Site-Occupation Disorder☆41Updated 3 months ago
- Random symmetric initialization of crystals☆22Updated 7 years ago
- zeo++ fork of the LSMO☆15Updated 2 years ago
- ☆36Updated 5 years ago
- A Python suite for manipulating VASP input and output☆46Updated last year
- LAMMPS plugin for AiiDA☆25Updated this week
- Utility for applying the distortion symmetry method.☆28Updated last year
- ☆18Updated 6 years ago
- ☆44Updated 9 months ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆18Updated 3 weeks ago
- ☆42Updated 7 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆34Updated 4 months ago