/iEntropy

Quantitative Entropy Alloy Structure Generator (NASA space apps challenge)

Primary LanguagePythonApache License 2.0Apache-2.0

iEntropy

Notice: exe file is portable edition which do not support ase package.

https://drive.google.com/file/d/1Plnqu-Wm-RrHrzqnqhrrPo38ZvJgPHhp/view?usp=sharing

Executable file is a portable version which do not support 3D illustration. Please check the following steps to experience full version.

Those who want to use complete edition with 3D lattice structure visualization should download the code in github and install the package by themselves. The source code in github is full version. It is very easy. Just install it with following steps.

Python version: Python 3.9.6

package we need: ase(for lattice structure visualization) and PyQt5(GUI)

please install two package with following pip command

ase

pip install ase

PyQt5

pip install PyQt5

We build a new virtual environment. After installing the mentioned two packages, we have the following package list. The source code can be compiled successfully and run in this virtual environment. You can also check the packages by using command

pip3 list
Package Version
ase 3.22.0
cycler 0.10.0
kiwisolver 1.3.2
matplotlib 3.4.3
numpy 1.21.2
Pillow 8.3.2
pip 21.2.4
pyparsing 2.4.7
PyQt5 5.15.4
PyQt5-Qt5 5.15.2
PyQt5-sip 12.9.0
python-dateutil 2.8.2
scipy 1.7.1
setuptools 58.1.0
six 1.16.0
wheel 0.37.0

Congratulation!! You have installed all the packages we need. Now just open the file main.py and run it. Then you can use all the function we have in portable edition. To use the visualization function, you need to uncomment just two line code in the main.py.

Hope you enjoy iEntropy!!