ComputationalPhysics2016

My personal results derived from the 2016 tasks in computational physics

Computational Physics Task 1.1

Standard map of the 'Kicked Rotor'

Computational Physics Task 2.1

Elementary numerical methods I

Computational Physics Task 3.1

Elementary numerical methods II

Computational Physics Task 4.1

Dynamics of a particle in the driven double trough potential. V(x) = x^4 - x^2 + x[A + Bsin(wt)]

Computational Physics Task 5.1

Quantum mechanics of 1D potentials

Computational Physics Task 6.1

Quantum mechanics of 1D potentials II - time evolution

Computational Physics Task 7.1

Quantum mechanics of 1D potentials III - periodic potentials and tight-binding approximation

Computational Physics Task 8.1

Calculation of average pressure in time interval dt, which is exerted on side surface A of a cuboid with N particles inside

Computational Physics Task 9.1

Numerical simulation of particle locations in diffusion + drift and absorption

Computational Physics Task 10.1

2D Ising model, where in the left plot the spin state of a 50x50 grid with periodic boundary conditions is shown.

Install:

Option 1: Conda (Recommended)

With Conda on the system installed the dependencies for this project can be automatically installed in a new environment:

Go to the projects base directory.

Open a conda-command-prompt with admin privileges and run the commands from the project folder

• to create a new environment with basic dependencies:

conda env create -f .\environment.yml

• to activate the environment:

conda activate compphys2016

Option 2: pip

Alternatively, you can install dependencies using pip:

pip install -r requirements.txt

For exact versions (recommended for reproducible results):

pip install -r stable_requirements.txt

Note: This project has been updated to use newer versions of scientific Python packages (NumPy 2.2+, Matplotlib 3.10+, SciPy 1.15+, SymPy 1.14+) for better performance and bug fixes.

Validation

After installing dependencies, you can validate that everything works correctly by running:

python validate_dependencies.py

How to use

With everything installed it comes down to running with the respective shell active just

python .\1_1_martin_roebke.py

Testing

To verify that all dependencies are working correctly with the computational physics scripts, run the comprehensive integration test suite:

python run_all_tests.py

This will:

• Test all 11 computational physics scripts
• Verify dependency compatibility
• Check for proper matplotlib backend handling
• Validate memory usage and safety
• Generate a detailed test report (TEST_REPORT.md)

Individual test modules can also be run separately:

python test_integration.py          # Core integration tests
python test_script_execution.py     # Script execution tests

Report problems

Check if the above steps are properly done.

If yes and there is something to be done - log into github and look at Issues (or open new) - or contact the maintainer ;-)