CSG_RESAMPLE(1)

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

💖 CSG_RESAMPLE 💖

okay bestie, welcome to csg_resample(1) from the General Commands Manual — she's a lil command-line girlie from the VOTCA package and she's about to resize your tables for you, no cap. 🎀

✨ NAME ✨

csg_resample — Part of the VOTCA package

🌸 SYNOPSIS 🌸

csg_resample [OPTIONS]

csg_resample [--help]

🦋 DESCRIPTION 🦋

Change grid and interval of any sort of table files. 💅

She's mainly called internally by the inverse script (iykyk), but you can also run her by hand to manually prepare input files for coarse-grained simulations. Main character energy, honestly. ✨

💜 OPTIONS 💜

Allowed options — here's the whole roster, not me skipping a single one:

  • --help — produce this help message. she's literally just here to help. 🫶
  • --in arg — table to read 📖
  • --out arg — table to write ✍️
  • --derivative arg — table to write (yes, also a table to write — she said double output, she's generous) 💖
  • --grid arg — new grid spacing, given as min:step:max. If grid is specified only, interpolation is performed. 🌈
  • --type arg (=akima) — [cubic|akima|linear]. If the option is not specified, the default type akima is assumed. she has a fave and it's akima, periodt. 👑
  • --fitgrid arg — specify fit grid (min:step:max). If grid and fitgrid are both specified, a fit is performed. 🔥
  • --nocut — Option for fitgrid: Normally, values out of the fitgrid boundaries are cut off. If they shouldn't be, choose --nocut. 🙈
  • --comment arg — store a comment in the output table. leave a lil note for your future self, bestie. 🎀
  • --boundaries arg — (natural|periodic|derivativezero) sets boundary conditions. vibe check your edges. 🌸

🌟 AUTHORS 🌟

Written and maintained by the VOTCA Development Team <devs@votca.org>

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 the license section is not the fun part but legally she ate and left no crumbs, so we keep every word. 🧚

okay that's the whole page, bestie — this was csg_resample from the csg_resample User Manual, brought to you by the VOTCA Development Team, dated CSG_RESAMPLE(1). slay, go resample something. 💖✨🦋

📦 where this page comes from