RUN_MOPAC(1)

📦 version 1.15, in debian bookworm, debian trixie, ubuntu jammy, ubuntu noble, ubuntu questing, ubuntu resolute, ubuntu stonking

💖 RUN_MOPAC(1) — the mopac7 era 💖

okay bestie, gather round, because this is the MOPAC7 manual page and she is lowkey iconic ✨

✨ NAME ✨

run_mopac7 — bestie's personal little button that invokes the mopac7 program 🫶

🎀 SYNOPSIS 🎀

run_mopac7 name

that's it. that's the whole vibe. one argument, no notes 💅

🌸 DESCRIPTION 🌸

so like, MOPAC hands you the routines to solve the electronic structure of molecules at a semi-empirical level. no cap, that's literally what it does 🧚

the methods you can pull up are:

  • MNDO
  • MINDO/3
  • AM1
  • PM3

and here's the way that run_mopac7 works — she reads from one file and then spawns a whole little friend group of output files, all named after whatever you passed as name:

  • reads input from name.dat 📥
  • writes output to name.out 📤
  • also writes the restart file to name.res 🔁
  • density matrix to name.den 🧬
  • logfile to name.log 📝
  • and the archive/summary file to name.arc 🗂️

one input, six files out. she's giving main character energy and she's giving prolific. periodt.

👀 SEE ALSO 👀

  • mpqc(1) — the other one, go say hi 🌈

👑 AUTHOR 👑

okay so the lore, because we respect the lore 💜

MOPAC7 originally is a work of James J. P. Stewart and co-workers. the MOPAC7 package that was used as a base for this work was obtained from:

http://www.bioinformatics.org/ghemical/download/current/

and if you're feeling nostalgic, older versions can be obtained from:

http://downloads.sourceforge.net/mopac7/
ftp://esca.atomki.hu/mopac7/LINUX/

changes made by Tommi Hassinen, University of Kuopio, Finland, April 2001. email <thassine@messi.uku.fi> 📧

this manual page was written by LI Daobing <lidaobing@gmail.com>, for the Debian project (but may be used by others). slay, honestly 🫡

fr fr, this whole page belongs to the MOPAC7 package, and the date on the tin is 2007-06-19 🌸 so yeah — that's the tea, bestie, go run some semi-empirical chemistry and text your friends about it 💖✨🎀
📦 where this page comes from