[Freeon-users] Course on CQC materials (please comment)

[Jose R. Valverde]

Dear friends,

        I have started to translate the contents I was using for the
course on Computational Quantum Chemistry in Madrid, with a view to
use them in an upcoming course later this year. They are of a basic level
and try to avoid the math, but should help understand the general problem,
when to apply each method and the advantages of linear scaling.

        They are under / Collaboratory / Education

        Currently, a lot of effort is spent in explaining how traditional
calculations were made. In methods, I have gone up to DFT, and am still 
missing a few parts to complete the contents, mainly an introduction to 
linear methods and the practical advice on using the program. I have to 
attend a meeting in Sweden on Thursday and will be busy with a Biostatistics 
course next week, so finishing it all may take some time more. Later on,
I intend to expand them -mostly practical advice- in future instances of the
course.

        Nevertheless, I wanted to mention it so that, if anyone is interested,
you can have a look and let me know of mistakes, corrections or additions. This
way I can include them before adding the contents to my moodle and announcing
the course.

        BTW, I can no longer upload images to the wiki. Not that it is a
problem, none at all, but personally I like to include illustrations to
make contents more amenable.

        And, Nicolas, thanks, I will certainly try and add comments and
explanations as I go over the code. That'll help me better digest the 
papers and understand what's going on in calculations. You know, I miss
a Cook's book-like cookbook on linear scaling approaches

                                j

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