From a7e9169550dbf09bf10aeba51af5c9c309513a94 Mon Sep 17 00:00:00 2001 From: ivuorinen Date: Tue, 25 Jun 2024 00:14:18 +0000 Subject: [PATCH] Update cheatsheets --- tldr/linux/mopac | 21 +++++++++++++++++++++ tldr/sort | 8 ++++---- 2 files changed, 25 insertions(+), 4 deletions(-) create mode 100644 tldr/linux/mopac diff --git a/tldr/linux/mopac b/tldr/linux/mopac new file mode 100644 index 00000000..c9baff7e --- /dev/null +++ b/tldr/linux/mopac @@ -0,0 +1,21 @@ +--- +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: . + +- 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` diff --git a/tldr/sort b/tldr/sort index 5499fd8e..880f72bc 100644 --- a/tldr/sort +++ b/tldr/sort @@ -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}}`