DiffCoeffIter is a MonteCarlo tool developed to compute the diffusion coefficient given th particle velocity is a 3D space. The tool is needed to MCele_ProteinGradient as velocity calibation
- Python
- Matplotlib
- numpy
- OS: Ubuntu18 - Fedora33
- Python: 2.7.18
- Matplotlib: 2.2.5
- numpy: 1.16.6
- scipy: 1.2.3
The software may run with other versions. Python3 is NOT supported.
python main_iter_2.py -p 100000
where p stands for number of particles
The output is composed of two columns: the particle velocity and the particle diffusivity. An example of output is provided in the repo.