Solving the TDSE for a Arbitrary Potential $V(x)$

Using tdse_solver.py, for a specified potention $V(x)$, it is then solved outputting the solution to the Hamiltonian as a gif, saved to a desired path. The user can specify what function of $V(x)$ they desire and specify the associated parameters, i.e $kx^2$, with parameters $k$ being the coefficent and $p$ being the power. Using the Crank–Nicolson method, the wavefunction is then resolved within the specified potential and the default output is given as an animated output.gif or a coloured Heat map.

Intructions for using the program:

Open a program capable of running .py files (to use command line, use Anaconda Powershell Prompt for best results.)

• For manual access:
  • Open file src\Python_code\solving_tdse.py in the program of choice.
  • To input values, scroll to the bottom and replace the "args.XXX" terms in with the chosen values - use the contained "help" instructions above to determine which are which.
• For command line access:
  • From the program root folder, use cd src\Python_code to set the run location to the same folder as tdse_cmd.py.
  • Use command python tdse_cmd.py to run the file from command line - the program should create a new .gif file in src\Python_code.
  • To input new values, run python tdse_cmd.py --help, to have Powershell list all possible input variables. From there, input the desired variables in standard command line format. For example:

python tdse_cmd.py --vx "2*x**2"

The example above generates a $V(x) = 2x^2$ potential and the TDSE is solved within this potential, The ouputted solution can be represented as either a .gif or heat map plot directed by the user via --output anim or --output plot respectively.

Contents:

• .gitignore contains files that should be ignored by git
• LICENSE the project license telling users who install your package the terms under which they can use your package
• README.md A markdown document telling users about the project
• requirements.txt contains the requirements for the project, you can install these with pip install -r requirements.txt
• docs/ contains the documentation - we won't discuss this further here.
• .github/workflows/python_test.yml contains a YAML file which determined how github Action are run
• src/ contains the python code required to run the project
• tests/ contains the tests of the python package(unfinished)