From: Jonathan Gutow <gutow@uw...> - 2011-10-14 20:27:51
Actually, I think programs like Gaussian, which don't allow us to look at the code, so we cannot judge if they are actually doing what they say, are somewhat problematic. They at least try to document the math they are doing, but as you know without seeing how they actually implement the calculations, you cannot be sure they've done what they say.
Other examples that are in this "problematic" area are Mathematica, Maple and the data analysis packages Origin, Sigma Plot and IGOR. IGOR at least references papers and texts on every algorithm they implement, but you still cannot look at the code and check.
The longer I have worked with information that is either produced or manipulated by computer programs, the more convinced I've become that the code should be viewable by anyone who has to use that information or judge its quality.
My, rather opinionated;), 2 pennies.
On Oct 14, 2011, at 2:43 PM, jmol-users-request@... wrote:
> Date: Fri, 14 Oct 2011 10:42:41 -0500
> From: Robert Hanson <hansonr@...>
> Subject: Re: [Jmol-users] Something I think we should support...
> To: jmol-users@...
> Content-Type: text/plain; charset="iso-8859-1"
> Thanks, Jonathan. I just sent in my endorsement. I think the wording is not
> perfect. What exactly is "processing data" for example? But I guess you
> could say that programs such as Gaussian would be excluded because they are
> the ORIGINATORS of the data, not specifically for processing the data. I
> don't know.
> On Fri, Oct 14, 2011 at 8:10 AM, Jonathan Gutow <gutow@...> wrote:
>> Dear Jmol Users:
>> I just encountered the Science Code Manifesto, which essentially states
>> that all computer code used for scientific analysis and modeling should be
>> available for review. Jmol already satisfies this, but I think it should be
>> generally true. It appears to have started with the Climate Code
>> Foundation. I encourage you to visit the web site and consider endorsing
>> the Manifesto.
Dr. Jonathan H. Gutow
Chemistry Department gutow@...
800 Algoma Boulevard FAX:920-424-2042
Oshkosh, WI 54901