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,densityanalysis,…

OPTIONS

options:

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