Metadata-Version: 1.0
Name: mapp4py
Version: 0.0.5.2
Summary: MIT Atomistic Parallel Package
Home-page: https://github.com/sinamoeini/mapp4py
Author: Sina Moeini
Author-email: sinam@mit.edu
License: UNKNOWN
Description: 
        
        MAPP is a parallel atomistic simulation package written entirely in C++, it is presented in form of a [python](http://www.python.org) package in order to facilitate usage. Some of the main features of MAPP are:
        
          * Molecular Dynamics (MD)
          * Diffusive Molecular Dynamics ([DMD](https://doi.org/10.1103/PhysRevB.84.054103)) canonical ensemble
          * DMD isothermoal-isostress ensemble
          * Sophisticated energy minimization (CG and l-BFGS) and line search (brent, golden section and back track) algorithms
          * Parallel Grand Canonical Monte Carlo (pGCMC) for pair and many body potentials such as EAM
          
          For documentation and usage please visit http://www.mit.edu/~sinam/mapp
        
Platform: UNKNOWN
