space-group-research / mpmcLinks
A Monte Carlo molecular simulation software especially suited for materials simulations with polarizable models
☆51Updated 2 months ago
Alternatives and similar repositories for mpmc
Users that are interested in mpmc are comparing it to the libraries listed below
Sorting:
- Monte Carlo and Molecular Dynamics Simulation Package☆92Updated last year
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆92Updated last month
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 4 years ago
- ASE density-functional tight-binding calculator☆68Updated 11 months ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 7 months ago
- JDFTx: software for joint density functional theory☆99Updated 3 weeks ago
- Developer repository for the LATTE code☆46Updated 3 months ago
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆123Updated 2 years ago
- Constant potential method in LAMMPS☆53Updated 2 years ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- Atomistic Manipulation Toolkit☆36Updated 4 months ago
- Open-source library for analyzing the results produced by ABINIT☆133Updated last week
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 years ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆17Updated 11 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated 4 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆55Updated 3 weeks ago
- python wrappers for generating training files for the ReaxFF code☆24Updated 11 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆43Updated 4 years ago
- Atomic interaction potentials based on artificial neural networks☆126Updated 3 weeks ago
- New version of dft-book for Quantum Espresso☆47Updated 5 years ago
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆77Updated 3 weeks ago
- Simulation Package for Ab-initio Real-space Calculations☆94Updated last month
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆85Updated last month
- Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…☆70Updated 4 years ago
- A Python library to calculate elastic properties of materials.☆59Updated 5 months ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆204Updated this week
- Fermi surface generation, analysis and visualisation.☆97Updated last week
- A collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.☆20Updated 2 months ago
- On-the-fly calculation of Transport Properties☆27Updated 2 years ago
- A Set of Tutorials for the LAMMPS Simulation Package☆37Updated 3 months ago