[gpaw-users] Summary of IRC-meeting

Jens Jørgen Mortensen jensj at fysik.dtu.dk
Wed Nov 19 11:10:02 CET 2014


Hi!

Present: Marcin, Olga, Ask and me

We discussed a bit some problems with orbital-free DFT with 
GGA-functionals and a failing test in the test-suite.  Both should be 
solved now.

There was also some talk about how to use BLACS to redistribute data 
among processes.

Moving GPAW from SVN to GIT was also discussed - possibly hosted on 
gitlab.org.

Ask said that he would soon write some documentation about TDDFT with 
LCAO.  Unfortunately this was soon on a geological time-scale, so it 
this new feature may remain a secret in our lifetime!

An experimental command-line tool called "gwap" (GPAW without any 
Python) was mentioned.  It is one command to run several sub-commands: 
atom, dataset, diag, dos, info, rpa, run, test, xc and maybe more in the 
future.

Full logs: https://dcwww.fysik.dtu.dk/~jensj/gpaw-stuff/irc-meeting-11.txt

Next meeting: December 16

Jens Jørgen



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