Prev: TapirWiki: a single-file wiki
Next: Skwire Empire
From: Craig on 19 Mar 2010 17:27
F/OSS, Linux command-line. I have gotten around to using it "just yet."
But there might be some budding Quantum chemists here. Right? Right?


> Siam Quantum (SQ) is a quantum chemistry program that calculates wave
> function and total energy of molecules. It currently supports
> restricted Hartree-Fock method using Gaussian-type basis functions.
> The source code is well documented because it was initially designed
> for academic purposes so that students can easily understand.
> However, Siam Quantum can also produce high quality results for
> research purposes because the energies calculated are comparable to
> the ones produced by other software packages such as Gaussian or
> GAMESS, with the errors in the order of 10^-6 Hartrees, which can be
> further reduced with more strict cut-off.

<http://www.physics.kku.ac.th/sq/>


--
-Craig
From: Cousin Stanley on 19 Mar 2010 19:36

> ....
> But there might be some budding Quantum chemists here
> ....

And there might be some old and crusty ones here ....

I worked in a quantum chemistry research group in grad school
back in the 1970s but haven't QC'd since .... :-)


--
Stanley C. Kitching
Human Being
Phoenix, Arizona

From: za kAT on 19 Mar 2010 19:54
On Fri, 19 Mar 2010 23:36:04 +0000 (UTC), Cousin Stanley wrote:

>> ....
>> But there might be some budding Quantum chemists here
>> ....
>
> And there might be some old and crusty ones here ....
>
> I worked in a quantum chemistry research group in grad school
> back in the 1970s but haven't QC'd since .... :-)

Pooh failed Organic Chem when she pissed on the prof's papers.
--
zakAT(a)pooh.the.cat - www.zakATsKopterChat.com
From: Craig on 20 Mar 2010 00:10
On 03/19/2010 04:36 PM, Cousin Stanley wrote:
>
>> ....
>> But there might be some budding Quantum chemists here
>> ....
>
> And there might be some old and crusty ones here ....
>
> I worked in a quantum chemistry research group in grad school
> back in the 1970s but haven't QC'd since .... :-)

O-chem stopped me cold. Switched my major to underwater basket-weaving
after that.

--
-Craig
 | 
Pages: 1
Prev: TapirWiki: a single-file wiki
Next: Skwire Empire