[Octopus-devel] cvs commit: marques/octopus/testsuite/finite_systems_3d 10-casida.01-N2.inp 10-casida.test

cvsusers at tddft.org cvsusers at tddft.org
Mon Mar 13 17:36:20 WET 2006


acastro     2006/03/13 17:36:20 WET

  Added files:
    octopus/testsuite/finite_systems_3d 10-casida.01-N2.inp 
                                        10-casida.test 
  Log:
  Added a test for the linear-response TDDFT calculations (casida module).
  It is a calculation for the N2 molecule. Of course it has to be classified
  as "long" since it takes about 10 minutes to complete.
  
  Maybe it is worthed to put a short-run also to check this module. Probably
  one can set up a 2d calculation (a quantum dot) so that it can be done
  in less than one minute.


More information about the Octopus-devel mailing list