asyncmd

The asyncmd toplevel module.

It imports the central Trajectory objects and the config(uration) functions for user convenience. It also makes public some information on the asyncmd version/git_hash.

Modules

config	This module contains the implementation of functions configuring asyncmd resource usage.
gromacs	This module exports all user-facing classes and functions for running gromacs.
mdconfig	This module contains abstract base classes to use for MD config file parsing.
mdengine	This module contains the abstract base class defining the interface for all MDEngines.
slurm	This module contains classes and functions for interacting with the SLURM queuing system.
tools	This file contains functions and classes (re)used internally in asyncmd.
trajectory	This module contains classes and functions for engine-agnostic but trajectory-related operations.
utils	This file implements commonly used utility functions related to MD usage with asyncmd.