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A Python Library for Energy Profile Plotting

Project description

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Introduction

CatPlot is a Python Library for Energy Profile and Abstract Grid(2D/3D) plotting.

Installation

  1. Via pip (recommend):

    pip install catplot
  2. From source:

    python setup.py install

Energy Profile Plotting

CatPlot can plot energy profile using interpolation algorithm.

See examples for more details(Continuously updated).

Plot an energy profile for an elementary reaction.

>>> from catplot.ep_components.ep_canvas import EPCanvas
>>> from catplot.ep_components.ep_lines import ElementaryLine

# Create an energy profile canvas.
>>> canvas = EPCanvas()

# Create an energy profile line.
>>> line = ElementaryLine([0.0, 1.2, 0.8])

# Add line to canvas.
>>> canvas.add_line(line)

# Plot it.
>>> canvas.draw()
>>> canvas.figure.show()

Result:

https://github.com/PytLab/catplot/blob/master/pic/energy_profile.png

2D Grid Plotting

You can use CatPlot to plot abstract lattice grid, see example for details.

Result:

https://github.com/PytLab/catplot/blob/master/pic/grid_2d.png

Important update log

Date

Version

Description

2017-04-10

1.1.0

Add 2D grid plotting

2017-04-10

1.0.0

A brand new CatPlot

2015-08-03

0.0.1

Intial Version

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