Quickstart

The most common use of Chi-Pet is scanning over a configuration parameter of simulation. Let’s say you have the following .yaml configuration file.

# config.yaml
run_time: 100
dt: .01
viscosity: 1
interaction_energy: .5
box_dimensions: [100., 100., 100.]
periodic_boundarys: True
sphere_radius: 1.
temperature: 1.
sphere_number: 1000

Now we want to scan over different interaction_energies. To do this we change the interaction_energy to a ChiParam string that tells Chi how to scan over the parameter.

interaction_energy: ChiParam(name='ie', format_str='Ei{:.2f}', values=[.1, .2, .3, .4, .5, .6, .7, .8, .9, 1.])

The values specify the values of the interaction_energy variable. In creating the directory structure, Chi will use the format string to create the directory names. In this case, the directories will be named Ei0.10, Ei0.20, Ei0.30, etc.