Classical-mechanics simulations of the rotational dynamics of rigid molecules and nanoparticles in laser-electric fields.
Change your working directory to the root directory of the package and run
pip install .
For development work pip install --editable . might be a useful alternative.
See the online documentation of the latest release on GitHub Pages.
For a start, you can also inspect and run the calculation inputs provided in
examples:
cmiclassirot -o example.h5 <example>
cmiclassirot-plot example.h5
See also the Release Notes and the Contributors file.
Documentation of the development version is available on DESY's gitlab pages.
When you use this program in scientific work, please cite it as Muhamed Amin, Jean-Michel Hartmann, Amit K. Samanta, Jochen Küpper, "Laser-induced alignment of nanoparticles and macromolecules for single-particle-imaging applications", arXiv:2306.05870