
log2mps
*******
Generates an mps-file (with polar-site definitions) from a QM log-file
The following table contains the defaults input options for the calculator, The default `OPTIONAL` means this option is switched off, if no input is given. 
`REQUIRED` arguments have to be specified, otherwise an error is thrown.

.. list-table::
   :header-rows: 1
   :widths: 30 20 15 15
   :align: center

   * - Property Name
     - Default Value
     - Description
     - Valid Input
   * - job_name
     - system
     - | Input file name without extension, also used for intermediate
       | files
     - 
   * - dftpackage
     - orca
     - QM package name
     - orca
   * - input
     - OPTIONAL
     - dftpackage log file to read from, otherwise use job_name
     - 
   * - output
     - OPTIONAL
     - MPs file with charges, if not given use job_name
     - 
.. note::
   An *xml* file containing the defaults for the `log2mps` calculator can be created via `-p log2mps -o FILENAME` command line options `
