Thursday, January 21, 2010

F*ck the system)) F*ck your self-vision, I mean

I do hate self-control. I mean, I've understood recently that it's better to be not the most efficient person in the world, but the most happy.

Wednesday, January 20, 2010

changing cases

sed 's/[[:lower:]]/\u&/g'

this quick and simple sed command helps in further editing of GAMESS input files.I was suffering of case-sensitivity of sed because I had a lot of GAMESS inputs where 'optimize' could be written as 'Optimize' or 'OPTIMIZE'. So I had to change RUNTYP by hands in a really huge number of molecular entities).
I'm happy now.

Thursday, January 14, 2010

PROFESS

PROFESS=PRinceton Orbital-Free Electronic Structure Software
I was interested in it because of ability to compute properties of really huge (10^5 or even more atoms). So, it's a good precision to study protein conductivity. unfortunately, I'm too busy in my daily projects, so the only thing I'm going to do with it currently is writing this post. Probably, I'll read it someday and remember about this interesting approach.