xtp_qmmm2qm1
Part of the votca package
Usage
xtp_qmmm2qm [OPTIONS]
xtp_qmmm2qm [--help]
Overview
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
Releases
2 releases since Debian 12 (Bookworm); the text changed 1 time.