[Octopus-notify] [Octopus] #44: Update 05-adw_oct_features test

Octopus octopus-notify at tddft.org
Wed Aug 2 12:14:11 WEST 2006


#44: Update  05-adw_oct_features test
-------------------------+--------------------------------------------------
 Reporter:  xavier       |       Owner:  anonymous
     Type:  task         |      Status:  new      
 Priority:  major        |   Milestone:           
Component:  testsuite    |     Version:  trunk    
 Keywords:  opt-control  |  
-------------------------+--------------------------------------------------
 The last two matches of the third run of this test are failing, i don't
 know enough of this test and numbers change considerably so i don't want
 to just change the numbers without being sure that everything is ok.

 This is the match:
 {{{
 # Match overlaps
 Match ; J1 1st  iteration  ; grep ' 1  ' opt-control/convergence ;
 \s*0.249\d*
 Match ; J1 2nd  iteration  ; grep ' 2  ' opt-control/convergence ;
 \s*0.568\d*
 Match ; J1 5th  iteration  ; grep ' 5  ' opt-control/convergence ;
 \s*0.83\d*
 }}}

 and this is the content of opt-control/convergence:
 {{{
 # iteration functional overlap penalty
      1    0.24313915    0.24999807    0.32000000    0.02143411
      2    0.55948657    0.56901307    0.32000000    0.02977031
      3    0.52107998    0.53238022    0.32000000    0.03531326
      4    0.36730245    0.37990666    0.32000000    0.03938817
      5    0.72144545    0.73581443    0.32000000    0.04490305
 }}}

-- 
Ticket URL: <http://www.tddft.org/trac/octopus/ticket/44>
Octopus <http://tddft.org/programs/octopus/>
A TDDFT solver



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