Turbomole 6.5
=============

A text-based interface to the Turbomole program package is provided for the performance of DFT
and RI-DFT calculations.

Turbomole is used, if the following information is provided in the `meta-config.json` file under
the ``"molecular dynamics"`` keyword::

    "interface": {
      "type": "turbomole",
      "configure": {}

The input for running `dscf` and `grad` (or `ridft` and `rdgrad`) calculations with Turbomole have
to be prepared with the `define` routine before the **metaFALCON** run is started in a new folder `tm`
within the working directory:: 

    mkdir tm
    cd tm
    define

The `coords` file is then automatically updated in every dynamics step.