- unstable 2022-3
|XTP_QMMM2QM(1)||General Commands Manual||XTP_QMMM2QM(1)|
xtp_qmmm2qm - Part of the VOTCA package
Convert QMMM orb file into a DFTGWBSE-like orb file usable by gencube,densityanalysis,...
-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 <firstname.lastname@example.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
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.
|xtp_qmmm2qm User Manual||VOTCA Development Team|