dwhswenson

import argparse
import pathlib
import logging
import json

# this takes about 9 minutes to run on my Mac
SHORT_CONFIG = {
    'integrator_settings.n_steps.magnitude': 10,
    'simulation_settings.checkpoint_interval.magnitude': 10,
    'simulation_settings.equilibration_length.magnitude': 40,

dwhswenson

dwhswenson

Code Style

Code style should be mostly PEP-8.

The easiest way to get good code is to pass it through Black (with an 80 column maximum). Our code style isn't exactly Black, but Black code will almost always be acceptable, and it is easy for contributors to reformat with Black. Just install black (pip or the conda-forge channel of conda) and run the command black -l 80 $filename on your files.

dwhswenson

dwhswenson

dwhswenson

dwhswenson

dwhswenson

dwhswenson

dwhswenson