XTP_RUN(1)

📦
version 2025.1 · 3 versions
, in debian trixie, fedora 43, fedora 44, ubuntu questing, ubuntu resolute

💖 XTP_RUN(1) 💖

okay so bestie, this is a page from the General Commands Manual — yes, that's the manual name, we're being fancy — and it's all about xtp_run, which is part of the VOTCA package. Let's get into it ✨

🌸 NAME 🌸

xtp_run — part of the VOTCA package. That's it, that's the whole vibe. It's a VOTCA girlie through and through 💅

🎀 SYNOPSIS 🎀

xtp_run [OPTIONS]

xtp_run [--help]

so you run it, optionally with options, or you just ask for help like a normal person 🫶

🦋 DESCRIPTION 🦋

It runs excitation/charge transport calculators ✨ that's the whole job. Very "I have one task and I do it iconically" energy.

👑 OPTIONS 👑

Allowed options, and yes, there are a bunch of them, no skips, we're doing all of them:

  • -h, --help — display this help and exit. the classic "just tell me what to do" move 🙈
  • --verbose — be loud and noisy 📢
  • --verbose1 — be very loud and noisy 📢📢
  • -v, --verbose2 — be extremly loud and noisy 📢📢📢 (yes, "extremly", we're quoting the source, don't come for me 😭)
  • -o, --options arg — Calculator user options.
  • -t, --nthreads arg (=1) — number of threads to create. default is literally 1, single-threaded main character energy
  • -e, --execute arg — Name of Calculator to run 🏃♀️
  • -l, --list — Lists all available Calculators. window shopping fr fr
  • -d, --description arg — Short description of a Calculators
  • -c, --cmdoptions arg — Modify options via command line by e.g. '-c xmltag.subtag=value'. Use whitespace to separate multiple options
  • -p, --printoptions arg — Prints xml options of a Calculator
  • -f, --file arg — hdf5 state file, *.hdf5
  • -i, --first-frame arg (=0) — start from this frame. default is frame 0 🎬
  • -n, --nframes arg (=1) — number of frames to process. default is 1 frame, humble of it
  • -s, --save arg (=1) — whether or not to save changes to state file. default is 1, so yes bestie, it's saving 💾
heads up: that -c one is a lil sneaky — you're passing it like '-c xmltag.subtag=value', and if you've got more than one thing to tweak, whitespace is your separator. don't mush them together 🫶

💜 AUTHORS 💜

Written and maintained by the VOTCA Development Team <devs@votca.org> — absolute icons, protecting this codebase with their lives 👑

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.

translation: read the license, it's literally right there, and it's doing all the heavy lifting about warranties (spoiler: there aren't any) 💀

and that's the page!! brought to you by the VOTCA Development Team via the xtp_run User Manual, aka XTP_RUN(1) — go run some transport calculators, bestie, you've got this 💖✨🎀

📦 where this page comes from