Command Line Interface

A separate command line tool for OpenPathSamplng can be installed. It is available via either conda or pip:

conda install -c conda-forge openpathsampling-cli
# or
python -m pip install openpathsampling-cli

Once you install this, you’ll have access to the command openpathsampling in your shell (although we recommend aliasing that to either paths or ops – save yourself some typing!)

This command is a gateway to many subcommands, just like conda and pip (which have subcommands such as install) or git (which has subcommands such as clone or commit). You can get a full listing all the subcommands with openpathsampling --help. For more information on any given subcommand, use openpathsampling SUBCOMMAND --help, replacing SUBCOMMAND with the subcommand you’re interested in.