XTP_QMMM2QM(1)

📦
version 2025.1 · 2 versions
, in debian trixie, fedora 43, fedora 44, ubuntu questing, ubuntu resolute

💖 NAME 💖

okay so bestie, meet xtp_qmmm2qm — she's part of the VOTCA package ✨ no cap.

🌸 SYNOPSIS 🌸

like, here's how you call her:

xtp_qmmm2qm [OPTIONS]
xtp_qmmm2qm [--help]

🦋 DESCRIPTION 🦋

so basically, xtp_qmmm2qm takes a QMMM orb file and converts it into a DFTGWBSE-like orb file 🫶 and that output file is literally usable by gencube, densityanalysis,... and friends 💅 it's giving glow-up for your orb file, fr fr.

✨ OPTIONS ✨

her options, the whole menu, nothing skipped 👑

  • -h, --help — shows this help message and dips out. iconic behaviour 😌
  • -f, --file FILE — the Input File. it's a String bestie, a whole string 📁
  • -r, --region REGION — the QMMM region number. that one's an Index 🔢
  • -v, --verbosity — Verbose mode. she will not shut up (affectionate) 🗣️✨

👑 AUTHORS 👑

Written and maintained by the VOTCA Development Team <devs@votca.org> — literal legends, we stan 🫶

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 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.

ngl bestie, read that license fr fr — it's the whole vibe check for what you're allowed to do 😭

and that's the tea 🍓 this lil' page is the xtp_qmmm2qm User Manual from the VOTCA Development Team — mwah, go convert something pretty 💅💖🧚

📦 where this page comes from