Schrodinger

This Project Solves the 1-step Schrodinger equation numeriacally, using tensorflow.

ˆ HΨ(x) = EΨ(x)

The definition of ˆ HΨ(x) is

−c∇2Ψ(x) + V0(x)

where V0 is the potential energy, c is a constant, and ∇2 is the Laplacian.

Installation

• pip install coverage
• pip install tensorflow

following this link if you have questions downloading tensorflow: https://www.tensorflow.org/install/pip?lang=python3

User Interface

• Users can modify the input v0, domain in v0.txt under both ./schrodinger and./schrodinger/schrodinger directory(remember to edit both)
• Users can modify the input N--number of basis sets in N.txt under both ./schrodinger and./schrodinger/schrodinger directory(remember to edit both)

Usage

Make sure you aready download tensorflow under python3, then use the following commands to run this project

git clone https://github.com/MsPuffie/Schrodinger cd schrodinger python3 schrodinger/schrodinger.py

Licience

• Free software: MIT license
• Documentation: https://schrodinger.readthedocs.io.

Credits

This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.