glotzerlab / ovito-scriptsLinks
A collection of scripts for pairing OVITO with freud and other Glotzer lab packages
☆16Updated 2 weeks ago
Alternatives and similar repositories for ovito-scripts
Users that are interested in ovito-scripts are comparing it to the libraries listed below
Sorting:
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆92Updated this week
- 1D density functional theory code in Python☆140Updated 2 years ago
- A minimalistic atomic Density Functional Theory (DFT) code☆145Updated last week
- HOOMD-blue example scripts.☆38Updated this week
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 years ago
- Materials science with Python at the atomic-scale☆229Updated last week
- A Set of Tutorials for the LAMMPS Simulation Package☆39Updated 4 months ago
- VSCODE extension for language support of LAMMPS scripts☆53Updated last month
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago
- Simulation Package for Ab-initio Real-space Calculations☆94Updated 2 months ago
- LAMMPS tutorials for both beginners and advanced users☆134Updated 4 months ago
- ELATE: Elastic tensor analysis☆90Updated 4 months ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆17Updated last year
- Tool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.☆66Updated 3 weeks ago
- A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an in…☆28Updated 4 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆44Updated 5 months ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆182Updated 3 months ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆44Updated 4 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- LAMMPS input from lammpstutorials.github.io☆58Updated 4 months ago
- generator of simple atomistic models☆28Updated 7 years ago
- The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …☆36Updated this week
- On-the-fly calculation of Transport Properties☆28Updated 2 years ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆105Updated last year
- ☆14Updated 6 years ago
- An interactive structure viewer alongside its simulated diffraction pattern☆19Updated 2 weeks ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆221Updated 3 weeks ago
- Examples of using the Atomic Simulation Environment☆39Updated 9 years ago
- Files used in tutorials☆46Updated 5 years ago
- Python interface for VASP☆89Updated this week