vzeizer/genmtx

A repository to share code concerning PowerMEIS code matrices

GenMtx

Matrix generator in Python 3

This code consists of matrix generators for PowerMEIS code. The user can specify several NanoParticle (NP) shapes and piling structures.

Installation

$ git clone https://github.com/vzeizer/GenMtx.git

Documentation

The goal of the present .py file is to share a robust, parallelized code to generate matrices (.mtx) to run in the PowerMEIS code PowerMEIS link.

Shapes of the NPs

Three NP shapes can be chosen:

1. Core-shell Structures (one element in the core and another in the shell);
2. Interpenetrated Spheres;
3. Separated Spheres.

Piling Structure of the NPs:

Considering that the NPs are spread over a substrate, the following agglomeration structures can be chosen:

1. Pyramids with hexagonal (several variations can be chosen) or square bases constituted by NPs;
2. Piling structure forming a cubic or rectangular structure;
3. Column-like piling of NPs;
4. Fcc piling of NPs.

Suported Python Versions

The code can be run with Python 3.0 or above.

What to install?

• NumPy
• joblib

Content of the files:

1. thirdparallel_powermeismatrix_general.py: the parallelized python program that generate the matrices

LICENSE

GenMtx is written and maintained by Vagner Zeizer Carvalho Paes.

MIT License

Copyright (c) 2019 Vagner Zeizer C. Paes

Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.