aimmd.ops

aimmd.ops#

This module contains openpathsampling compatible classes to run aimmd simulations.

Modules

hooks

This file contains openpathsampling hooks to run aimmd simulations with openpathsampling.

selector

This file contains the openpathsampling compatible RCModelSelector class, which uses a Committor model to select shooting points.

utils

This file is part of AIMMD.