[gpaw-users] Code sprint on Thursday

[Jens Jørgen Mortensen]

Room 127 building 307 in 5 minutes!

On 03/24/2015 02:26 PM, Jens Jørgen Mortensen wrote:
> 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
>
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