xtp_qmmm2qm - Man Page

xtp_qmmm2qm [Options]

xtp_qmmm2qm [--help]

Convert QMMM orb file into a DFTGWBSE-like orb file usable by gencube,densityanalysis,...

options:

 -h, --help                  show this help message and exit
 -f FILE, --file FILE        Input File (String)
 -r REGION, --region REGION  QMMM region number (Index)
 -v, --verbosity             Verbose mode

Written and maintained by the VOTCA Development Team <devs@votca.org>

Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)

Licensed under the Apache License, Version 2.0 (the "License"); you may not use this  file except in compliance with the License.  You may obtain a copy of the License at

      http://www.apache.org/licenses/LICENSE-2.0

Unless  required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY  KIND, either  express  or  implied.   See  the  License  for  the  specific  language  governing permissions and limitations under the License.