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XTP_QMMM2QM(1) General Commands Manual XTP_QMMM2QM(1) NAME xtp_qmmm2qm - Part of the VOTCA package SYNOPSIS xtp_qmmm2qm [OPTIONS] xtp_qmmm2qm [--help] DESCRIPTION Convert QMMM orb file into a DFTGWBSE-like orb file usable by gencube,den- sityanalysis,... OPTIONS 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 AUTHORS Written and maintained by the VOTCA Development Team <devs@votca.org> COPYRIGHT Copyright 2009-2024 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 dis- tributed under the License is distributed on an "AS IS" BASIS, WITHOUT WAR- RANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limi- tations under the License. VOTCA Development Team xtp_qmmm2qm User Manual XTP_QMMM2QM(1)
NAME | SYNOPSIS | DESCRIPTION | OPTIONS | AUTHORS | COPYRIGHT
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