CIF_FIND_SYMMETRY(1)

💖 CIF_FIND_SYMMETRY 💖

okay bestie, pull up a chair, because this is cif_find_symmetry(1) from the General Commands Manual, and she's here to find the symmetry of the atoms in the unit cell of a CIF crystal structure. no cap. 🦋

✨ NAME ✨

cif_find_symmetry — find the symmetry of the atoms in the unit cell of a CIF crystal structure. 💅

and listen, lowkey the most important thing: in order to obtain correct results most of the time, all atoms of the unit cell should be present in the input. that's the vibe check. you can make that happen by using cif_p1 or similar programs. periodt. 👑

🌸 SYNOPSIS 🌸

🎀 DESCRIPTION 🎀

Find the symmetry of the atoms in the unit cell of a CIF crystal structure. 🧚

and fr fr, here's the tea again because it matters: in order to obtain correct results most of the time, all atoms of the unit cell should be present in the input. you get that by using cif_p1 or similar programs. it's giving "feed me the whole unit cell or I will simply not slay." 😭

💜 OPTIONS 💜

• --precision, 1e-5 — that's the pair, bestie. she's here, she's precise, she's 1e-5. ✨
• --symmetry-precision, 1e-5 — tolerance of distance between atomic positions and between lengths of lattice vectors to be tolerated in the symmetry finding (default: 1e-5). 🎀
• --use-spglib — use spglib for symmetry search. currently, spglib is the only implemented method. so like… she's the only girl in the group chat, but she is the group chat. 👑
• -F, --float-format "%.12g" — specify format to print out floating point numbers. 🍓
• --dump-symmetry-dataset — suppress regular output and dump symmetry data structure, as returned from spglib. raw data girlie. 🦋
• --dont-dump-symmetry-dataset, --no-dump-symmetry-dataset — produce regular output. back to normal, we love her. 💖
• --use-perl-parser — use Perl parser for CIF parsing. 🐪
• --use-c-parser — use Perl & C parser for CIF parsing (default). yes, both of them, holding hands. 🫶
• --help, --usage — output a short usage message (this message) and exit. 🎀
• --version — output version information and exit. 💅

😤 REPORTING BUGS 😤

found a bug? not the moment, but okay. report cif_find_symmetry bugs using e-mail: cod-bugs@ibt.lt 📧

warning bestie: don't skip the unit-cell thing. all atoms of the unit cell should be present in the input for correct results most of the time. use cif_p1 or similar. this is not a drill. 🚨

okay that's the whole page, we ate and left no crumbs 💅 this was cif_find_symmetry(1) from the General Commands Manual, and she's iconic. take care of her, mwah. 🎀✨💖