grep "Excited State *1" *.logOf course you can change state number (1) and file(s) name (*.log).
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Tuesday, January 24, 2006
You can get excited state parameters from gaussian log/out file using one bash command:
Wednesday, January 11, 2006
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.
Monday, January 02, 2006
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.