Update cheatsheets

This commit is contained in:
ivuorinen
2024-06-25 00:14:18 +00:00
parent dc011c0e3b
commit a7e9169550
2 changed files with 25 additions and 4 deletions

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tldr/linux/mopac Normal file
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---
syntax: markdown
tags: [tldr, linux]
source: https://github.com/tldr-pages/tldr.git
---
# mopac
> MOPAC (Molecular Orbital PACkage) is a semiempirical quantum chemistry program based on Dewar and Thiel's NDDO approximation.
> More information: <https://github.com/openmopac/mopac>.
- Perform calculations according to an input file (`.mop`, `.dat`, and `.arc`):
`mopac {{path/to/input_file}}`
- Minimal working example with HF that writes to the current directory and streams the output file:
`touch test.out; echo "PM7
#comment
H 0.95506 0.05781 -0.03133
F 1.89426 0.05781 -0.03133" > test.mop; mopac test.mop & tail -f test.out`

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@@ -28,6 +28,10 @@ source: https://github.com/tldr-pages/tldr.git
`sort --field-separator={{:}} --key={{3n}} {{/etc/passwd}}`
- As above, but when items in the 3rd field are equal, sort by the 4th field by numbers with exponents:
`sort -t {{:}} -k {{3,3n}} -k {{4,4g}} {{/etc/passwd}}`
- Sort a file preserving only unique lines:
`sort --unique {{path/to/file}}`
@@ -35,7 +39,3 @@ source: https://github.com/tldr-pages/tldr.git
- Sort a file, printing the output to the specified output file (can be used to sort a file in-place):
`sort --output={{path/to/file}} {{path/to/file}}`
- Sort numbers with exponents:
`sort --general-numeric-sort {{path/to/file}}`