Introduction
************

FlexMD is a Python package providing molecular dynamics (MD)
simulations using the energy evaluation methods made available by the
ADF suite. A set of example scripts can be found in the
examples/scmlib directory of a standard ADF installation.

FlexMD can be accessed interactively by running amspython, followed by
a standard Python import command for the package scm.flexmd. The
Python help function can be used to obtain detailed documentation
about all FlexMD classes. In the following example, an inquiry of one
class (the MDMolecule class) can be performed.

   $ amspython
    from scm import flexmd
    help(flexmd.MDMolecule)

To leave the interactive help, press q. The help function can also be
used to list the contents of the FlexMD package:

   $ amspython
    from scm import flexmd
    help(flexmd)

Python can also give the help documentation as plain text:

   $ amspython
    from scm import flexmd
    import pydoc
    print pydoc.render_doc(flexmd.ForceJob, "Help on %s")
