SYMOP_BUILD_SPACEGROUP(1)

👑 SYMOP_BUILD_SPACEGROUP 👑

okay bestie, welcome to the General Commands Manual entry for symop_build_spacegroup — yes that's the whole name, yes it's a mouthful, we're saying it with our chest anyway 💅

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✨ NAME ✨

symop_build_spacegroup — figures out a space group from a list of symmetry operators (a.k.a. generators), using Ralf's algorithm (that's Ralf Grosse-Kunstleve's algorithm, giving credit where it's due 🫶).

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🌸 SYNOPSIS 🌸

symop_build_spacegroup < input.symop

symop_build_spacegroup input.symop

symop_build_spacegroup input.symop additional*.symop

like. it takes input from stdin, or from files, or from a main file PLUS a whole lil squad of additional*.symop files. iconic behaviour tbh 🦋

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💖 DESCRIPTION 💖

Determine a space group from a list of symmetry operators (generators), using the Ralf's (Ralf Grosse-Kunstleve) algorithm.

that's it, that's the whole gig — you hand it generators, it hands you back the space group, no cap ✨

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🎀 OPTIONS 🎀

• -o, --use-optimised-spacegroup-builder — use the space group builder algorithm that's optimised for speed, as implemented in the COD::Spacegroups::Builder module. this is the default, so you're already slaying 🔥
• -s, --use-simple-spacegroup-builder — use the simpler and slower space group builder algorithm, as implemented in the COD::Spacegroups::SimpleBuilder module. less fast, more chill 🐢
• --debug — switch on the debug printouts. noise on. we love a verbose moment 🙈
• --no-debug — switch off the debug printouts (default). quiet queen energy 🤫
• --help, --usage — outputs a short usage message (this very message, hi hello) and exits 👋
• --version — outputs version information and exits. ask it who it is, it will tell you ⭐

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📬 REPORTING BUGS 📬

Found a bug? Report symop_build_spacegroup bugs using e-mail: cod-bugs@ibt.lt — tell them everything, they wanna know, fr fr 💜

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bestie reminder: don't sleep on the fact that --no-debug is the default and that the optimised builder is the one you get unless you explicitly go for the simple one. defaults are lowkey the main characters here 👑

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and that's a wrap, my love 🌈 the manual name is symop_build_spacegroup in the General Commands Manual, and the footer is just the name again — SYMOP_BUILD_SPACEGROUP(1) — no version, no date, no extra lore, so we're closing it out with exactly that and nothing invented. bye bestie, go build some space groups 💖✨🎀