POINTS-CLI : A PROGRAM THAT CALCULATES POTENTIAL ENERGIES OF PERFECT GASES
Description:
Points-cli is a small program that takes a given number of randomly generated points in 3-Dimensions and plots them in multiple colors using matplotlib. It then allows the user to obtain various measurements from distances and angles of the points to the van de Waals potential between centers of noble gases' molecules emulated by the random points.
The points are restricted within boundaries of a box. The user interacts with the program through both the command line interface and the matplotlib plot. From the command line interface the user is taken through elaborative steps that describe the proper arguments and options. The plot is a 3D scatter plot with an extra feature that enables the user to hover the mouse over any point to display the index assigned to that point.
After the plot has been displayed an access to a menu appears on the command line with five options: Measure distance, Measure angle, vdW Lennard-Jones, vdW Morse and Exit.
GETTING STARTED
Dependencies:
Python 3.7.6
Numpy 1.18.1
Matplotlib 3.1.3
tqdm 4.47.0
Installing:
pip install Points-cli
Executing program:
Points-cli
Help:
To make the program run faster opt for a smaller number of points depending on the processing power and memory available at your disposal.
You can always use Ctrl+C to prematurely exit the program.