usnistgov / atommanLinks
Atomistic Manipulation Toolkit
☆93Updated 4 months ago
Alternatives and similar repositories for atomman
Users that are interested in atomman are comparing it to the libraries listed below
Sorting:
- A grain boundary generation code☆79Updated 2 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆91Updated last month
- ELATE: Elastic tensor analysis☆87Updated 2 months ago
- Open-source library for analyzing the results produced by ABINIT☆132Updated last week
- A module for ASE for elastic constants calculation.☆47Updated 10 months ago
- Python interface for VASP☆88Updated last week
- Software for generating machine-learning interatomic potentials for LAMMPS☆178Updated last month
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 6 months ago
- Python Cp2k interface☆99Updated 3 years ago
- Python package to analyse electron density & electrostatic potential grids☆88Updated last year
- Materials science with Python at the atomic-scale☆227Updated this week
- LAMMPS tutorials for both beginners and advanced users☆128Updated 2 months ago
- A simulation package of phonon-phonon interaction related properties☆151Updated last week
- Phonon anharmonicity analysis from molecular dynamics☆134Updated 2 months ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Updated last year
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆67Updated last year
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- ☆111Updated 3 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
- Atomistic Manipulation Toolkit☆36Updated 3 months ago
- New ASE compliant Python interface to VASP☆135Updated 3 years ago
- generator of simple atomistic models☆28Updated 7 years ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆103Updated last year
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆86Updated this week
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆113Updated last year
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆64Updated 8 months ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆107Updated 3 years ago
- Atomic interaction potentials based on artificial neural networks☆126Updated last month
- potfit force-matching code☆42Updated last year