XTP_MODIFY_JOBFILE(1)

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

💖 XTP_MODIFY_JOBFILE 💖

okay bestie, welcome to the xtp_modify_jobfile page from the General Commands Manual — section 1, obviously, we're not in the weeds of section 3 today 🎀

✨ NAME ✨

xtp_modify_jobfile — it's literally part of the VOTCA package 🫶

🌸 SYNOPSIS 🌸

xtp_modify_jobfile [OPTIONS]

xtp_modify_jobfile [--help]

like, that's it. that's the whole vibe. no cap 💅

🦋 DESCRIPTION 🦋

okay so here's the tea ☕ — this thing creates a subset Jobfile from a larger Jobfile using selection criteria. you got a big Jobfile and you only want some of it? slay, that's the whole job. icon behavior fr fr ✨

💅 OPTIONS 💅

the options, bestie, in order, no skips, no crumbs:

  • -h, --help — show this help message and exit. the classic. the main character of every CLI 🫶
  • -i, --input _J_INPUT_ — Jobfile file to select from. this is your source material, your starting point, your origin story 🌸
  • -o, --output _J_OUTPUT_ — Filename to write new jobfile to. this is where the new little baby jobfile goes 🎀
  • **-l, --job_ids _JOB_IDS_ [_JOB_IDS ...]_ ** — Either a list of ids '1 3 5' or a range '1-5' or a combination thereof. so you can go one by one, or grab the whole block, or mix and match like a lil DJ 🎧
  • -s, --selector _SELECTOR_ — A more flexible way to select jobs can be combined with ranges. Specify the xml tag you want inside the job via e.g. 'input/regions/region.id:0'. The tag must exist and the value behind the colon supports '?' and '*' wildcards.
real talk though: the tag must exist — no tag, no selection, don't come for me 💀 and yes, those '?' and '*' wildcards go behind the colon, iykyk.

👑 AUTHORS 👑

Written and maintained by the VOTCA Development Team <devs@votca.org> — they're the ones holding it down, we love to see it 💖

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.

yes bestie, that's the legal bit and we do not paraphrase the legal bit. read it, respect it, it's giving responsible queen 💜

and that's the whole page, no crumbs left 🍓 this was the xtp_modify_jobfile page from the VOTCA Development Team's xtp_modify_jobfile User Manual, and the manual name up top is XTP_MODIFY_JOBFILE(1) just so you always know where you are. go select some jobs, you absolute icon ⭐ mwah 💋

📦 where this page comes from