grep "Excited State *1" *.logOf course you can change state number (1) and file(s) name (*.log).
Kind of my extended memory with thoughts mostly on Linux and related technologies. You might also find some other stuff, a bit of SF, astronomy as well as old (quantum) chemistry posts.
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Tuesday, January 24, 2006
Excited state parameters in Gaussian
You can get excited state parameters from gaussian log/out file using one bash command:
Posted by Wawrzek at Tuesday, January 24, 2006 No comments:
Labels: Gaussian, linux, quantum chemistry, shell
Wednesday, January 11, 2006
Benchmarking Filesystems - part I
In the 122nd number of Linux Gazette Justin Piszcz presented second part of his article about Benchmarking Filesystems. Author suggested the XFS is the best choice, however, briefly analysis of results exhibited that JFS could be even better.
Posted by Wawrzek at Wednesday, January 11, 2006 No comments:
Monday, January 02, 2006
Another site about Free Chemistry Software
I found another interesting website about chemistry software. There is only disadvantage of Tom's Free Chemistry Software, it was stop to maintain some time ago... Anyway you can check it, there are still a lof of working links.
Posted by Wawrzek at Monday, January 02, 2006 1 comment:
Labels: chemistry, links, quantum chemistry
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