[gpaw-users] Code sprint on Thursday

[Jens Jørgen Mortensen]

Hi!

On Thursday we'll have an ASE/GPAW code-sprint here in Lyngby.  You are 
all invited.  We'll start at 9:30 and continue until we run out of 
energy.  Here is a list of tasks that we can work on:

ASE:

* Make small pictures/logos for all CMR-project pages
* Add mx2(m='Mo', x='S') function for MoS2 layers and friends
* Run Sphinx in nit-picky mode and fix errors
* Fix Dimer method problem
* Band-structure tool for making plots from rows in the database
* Update Trajectory docs
* Remove old Siesta exercises from ASE exercise page
* Fix Atoms.__repr__() method:  should write chemical symbols in correct 
order
* Make sure all calculators have .version attribute
* Fix install docs for Mac
* Add Glenn's documentation of the new NEB interpolation (IDPP)

ASE-tickets:

     https://trac.fysik.dtu.dk/projects/ase/report/1

* Add bandgap-function #87
* Bader analysis #94
* Multithreaded NEB #94
* Fix dissociation tutorial #33
* Trajectory bug #88
* Fix CIF-file problems #90

GPAW:

* Always write eigenvalues and occupation numbers to text output, but 
truncate if there are too many k-points or bands
* Fix eigensolver documentation that says that RMM-DIIS is the default
* Use math.factorial(), fractions.gcd() from the Python standard library 
instead of GPAW's own functions
* More text output: "Initializing positions", "Reading wave functions", 
"Superimposing atomic densities", ...
* Replace hard to read gemm() calls with human readable mmm() calls 
(matrix-matrix multiplication)

You are welcome to work on other tasks that you think are more 
fun/important.

Please let me know if you want to participate.

See you,
Jens Jørgen