Too Much Redhat/Dacapo

[omly]

I just realized that I am using/thinking of the command "grep" synonymously with the verb "grok".

Comments

[mollydot.livejournal.com]

Good thing too, as the search dialog is pretty useless.
I just stick to Windows, but I use wingrep.

omly, what's Dacapo?

[omly.livejournal.com]

Dacapo is an open source density functional theory based quantum mechanics software I am trying to use to model catalytic surface.

[mollydot.livejournal.com]

Questions always lead to more questions.... what's density functional theory and catalytic surface?

[omly.livejournal.com]

a catalytic surface is a surface of a catalyst
a catalyst is a substance that facilitates a chemical reaction, making it happen faster, at a lower temperature and/or more selectively
density functional theory is a type of calculation of quantum mechanics where you calculate chemical properties from the interacting wavefunctions of each of the electrons of each of the atoms involved
a wavefunction can be thought of as the mathematical expression of the probability of an electron being at any location; integrated over all space/infinitiy it would be one because the electron has to be somewhere