omly: peacock tail feather (glassware)
omly ([personal profile] omly) wrote2007-01-18 01:50 pm
Entry tags:

Too Much Redhat/Dacapo

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

[identity profile] clahey.livejournal.com 2007-01-18 06:50 pm (UTC)(link)
Right now I'm having to code in windows to get the windows version of our client working. I'm running emacs, but meta-x grep doesn't work since it invokes an external binary. I usually switch to my linux box, download the same code and do the search. I never even thought to use the search dialog.

[identity profile] mollydot.livejournal.com 2007-01-19 09:09 am (UTC)(link)
Good thing too, as the search dialog is pretty useless.
I just stick to Windows, but I use wingrep.

[livejournal.com profile] omly, what's Dacapo?

[identity profile] omly.livejournal.com 2007-01-19 07:52 pm (UTC)(link)
Dacapo is an open source density functional theory based quantum mechanics software I am trying to use to model catalytic surface.

[identity profile] mollydot.livejournal.com 2007-01-19 10:34 pm (UTC)(link)
Questions always lead to more questions.... what's density functional theory and catalytic surface?

[identity profile] omly.livejournal.com 2007-01-19 11:28 pm (UTC)(link)
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