CIF_SUPERCELL(1)

📦 version 3.12.0, in ubuntu stonking

✨ CIF_SUPERCELL(1) ✨

okay bestie, so this is a page from the General Commands Manual, and it's all about cif_supercell. grab a strawberry 🍓 and let's get into it.

🎀 NAME 🎀

cif_supercell — generate a supercell from the input CIF file. that's it, that's the whole vibe. iconic behavior honestly 👑

🦋 SYNOPSIS 🦋

cif_supercell --options input.cif inputs*.cif

yeah so like, you give it options, then your input CIF, then as many inputs*.cif as your little heart desires 💖

🌸 DESCRIPTION 🌸

Generate a supercell from the input CIF file.

not me being obsessed with a one-line description. short. sweet. to the point. periodt 💅

✨ OPTIONS ✨

  • --span -1:1,-1:1,-1:1 — this is where you Specify the span of the supercell, bestie. the default is literally "-1:1,-1:1,-1:1" so if you don't say anything it's gonna be that 🫶
  • --randomise-disorder — Select random disorder groups for each assembly, independently for each cell in a supercell. chaotic? no. deliberate? yes. slay 🎲
  • --no-randomise-disorder — Output disorder as given in the original input. this is the default, so if you're like "don't touch my disorder," this one's your girl 🙈
  • --random-seed 123456 — Use the provided seed to initialise the random number generator. and here's the lil trick: use "" (yes, the empty string) as a seed to revert back to the default seed. so --random-seed "" and we're back to factory settings, no cap 🌈
  • --force — Force processing of non-P1 structures. she's pushy and she knows it 💀
  • --no-force — Do not force (refuse to process) non-P1 structures. this is the default, so it's giving firm boundaries, and honestly? respect 🫶
  • --use-c-parser — Use the faster C parser for parsing CIFs. default behavior, and yes she's the speed queen 👑
  • --use-perl-parser — Use the Perl parser for parsing CIFs. the other option. the vibe is different. pick your fighter 🧚
  • --help, --usage — Output a short usage message (this message) and exit. literally the "explain it to me again" button 💖
  • --version — Output version information and exit. for when you need to know exactly which one you're dealing with ✨

😭 REPORTING BUGS 😭

found a bug? don't suffer in silence, bestie. Report cif_supercell bugs using e-mail: cod-bugs@ibt.lt 📧 they wanna hear about it fr fr

and that's the whole page, my love 🌟 from the General Commands Manual, this was cif_supercell(1) — go build something beautiful, mwah 💜🦋

 

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