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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:
grep "Excited State *1" *.log
Of course you can change state number (1) and file(s) name (*.log).

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.

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.