On Mon, Aug 18, 2014 at 5:24 PM,  <[email protected]> wrote:
> Hello,
>
>
> On Friday, August 15, 2014 3:54:44 AM UTC-5, kcrisman wrote:
>>
>> Thanks, Jonathan!
>>
>>>
>>> I believe from discussions with him that Steve Singleton at COE college
>>> has converted some of the common Maple/Mathematica/Matlab worksheets into
>>> sage.  His web site is http://www.public.coe.edu/~ssinglet/.
>>>
>>
>> And I believe he has some interest in the notebook as well.
>
>
> I'm late to the thread, but happy to learn of others interested in using
> sage in chemistry. Several people asked for more information about sage at
> the recent BCCE meeting (I saw Jonathon Gutow), so it sounds like I need to
> get serious about sharing more stuff.
>
> Echoing or adding to things mentioned earlier in the thread:
>
> I started by translating a lot of T. Zielinski's and J Noggle's MathCAD
> stuff to mma, and then to sage which I've used the past couple years. I've
> also adapted or written pogil-like activities that utilize sage. All of this
> hopefully gets students playing with quantum and thermo concepts like
> eigenvalues, orthonormality, data fitting/analysis, some group theory, etc.
> The goal was/is to go beyond trivial examples that can be solved by hand and
> use 'real' tools for 'real' problems.
>
> SMC (sage math cloud) is a great way to get going quickly and
> efficiently...no setup problems. I used it almost exclusively last year, and
> my students *did* use it exclusively. SMC is a full-blown unix env. with
> dozens of tools if you or your students are interested in other areas of
> technical computing.
>
> I'm still figuring out the best work flow for assigning and collecting
> homework with SMC, but William Stein is adding new functionality that will
> likely make this smoother.

I spent all day working hard on exactly that.  I hope to make a first
release of something for testing tomorrow, if all goes well.

>
> I keep a local sagenb server running for occasional uses:
>
> - sharing older worksheets; SMC doesn't have a "publish worksheet" system
> yet (I understand it will), but you can distribute sagews files via transfer
> (git, cp, email, etc) or shared projects. SMC can import sws files if you
> find useful materials on other sagenb servers that pop up in web searches.
>
> - visualizations requiring 3D. Effort has gone into beefing up the 3D
> capabilities in SMC, but I haven't figured out how to do several things that
> "just work" with jmol and sagenb. There are only a few exercises (e.g.,
> orbitals, ESP, cube files) that are impacted, so I just show these in class
> with either sagenb or IPython notebooks running on my laptop. (I've promoted
> the use of contour plots over volume rendering...not really a bad thing
> since nobody uses topo maps any more.)
>
> If there is interest among even this small group, I'm can spend some time
> cleaning up worksheets, seek distribution permission for the translated
> work, and put the stuff on github or elsewhere. Might be nice to have a
> library of materials so we aren't building from scratch.
>
> And thanks to Jonathon and Karl-Dieter for reminding me about an ancient web
> page in dire need of attention! Another stale project...
>
> Thanks,
> Steve
>
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-- 
William Stein
Professor of Mathematics
University of Washington
http://wstein.org

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