MIT Atomistic Parallel Package
Project 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
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
File details
Details for the file mapp4py-0.0.5.2.tar.gz.
File metadata
- Download URL: mapp4py-0.0.5.2.tar.gz
- Upload date:
- Size: 287.8 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/1.13.0 pkginfo/1.5.0.1 requests/2.20.1 setuptools/41.0.1 requests-toolbelt/0.9.1 tqdm/4.32.1 CPython/3.7.0
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
237b3dc53e8b35aa469920c85c79176f150f686d5c227b742b005b81a507d053
|
|
| MD5 |
1e0bad1e48f6f7a41f32b75c0889181a
|
|
| BLAKE2b-256 |
2b063106ccf69c8df35ad4b8aba7ca20f0ac8e6a5d7112ae8e08f720b0f09a97
|
