diffpy / add2019-diffpy-cmiLinks
DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble
☆12Updated 6 years ago
Alternatives and similar repositories for add2019-diffpy-cmi
Users that are interested in add2019-diffpy-cmi are comparing it to the libraries listed below
Sorting:
- A code to compute the radial distribution function☆21Updated 6 years ago
- Generate random alloys and compute various properties☆62Updated 11 months ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆67Updated last year
- ☆72Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- Debye's scattering equation & other analysis of atomistic models.☆55Updated last year
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- ☆44Updated 7 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- ☆45Updated 5 years ago
- Grand canonical optimization of grain boundary phases.☆29Updated 6 months ago
- ☆60Updated last year
- LAMMPS plugins for thermal conductivity and density of states calculation☆50Updated 6 years ago
- ☆27Updated last week
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆57Updated 6 years ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆73Updated last year
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- Python library for generation of MOFs, COFs, Zeolites...☆33Updated 4 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Updated 2 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated 2 months ago
- A module for ASE for elastic constants calculation.☆47Updated 9 months ago
- ☆70Updated 7 months ago
- Site-Occupation Disorder☆46Updated 7 months ago
- Python package to analyse electron density & electrostatic potential grids☆88Updated last year
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆23Updated 5 months ago
- On-the-fly calculation of Transport Properties☆26Updated 2 years ago
- Examples of using the Atomic Simulation Environment☆37Updated 9 years ago