Commit e5c4667d authored by Marie bernadette Lepetit's avatar Marie bernadette Lepetit
Browse files

test 03405

parent 0618dbd0
Pipeline #11881 failed with stage
in 23 minutes and 40 seconds
......@@ -306,6 +306,7 @@ Program proprietes
deallocate(shtblkdet, nblkdet, deter_index)
deallocate(det)
deallocate(psi, ener)
deallocate(whichprop)
call gettime(tend,wend)
......
#
#
&sassinp
prefix="cuo",
prt_cipci=.false.,
iprint=1
&end
&infomolcasinp
nirrep=1,
ntot=12,
iIrTb(1,1) = 1,
iChTb(1,1) = 1
&end
&orbinp
norb_gel = 38,
norb_occ = 0,
norb_ligo = 3,
norb_act = 4,
norb_ligv = 0,
norb_virt = 5,
norb_del = 68
&end
&vecinp
stot=1,
sz=0,
vec_irrep=1,
nvec=2,
nref0=1,
nelact = 4
&end
&davidinp
debug_dav = .true.
SizeheffDavidson = 10,
tol_conv = 1.d-10,
&end
&propinp
nprop = 1,
whichprop="dens"
&end
../CuO_03450/cuo.TraInt
\ No newline at end of file
../CuO_03450/cuo.TraOne
\ No newline at end of file
This diff is collapsed.
......@@ -4,7 +4,7 @@
 
***********************************************
RELEASE Version
Calculation started on 28-10-2021 at 17:45
Calculation started on 29-10-2021 at 11:45
 
>>> Method sas+s
>>> Ouverture des fichiers
......@@ -44,7 +44,7 @@ resta : cuo.
>>> Determinant block D1 generated in 0.00 second(s)
>>> Generation of D2
Nb of determinants in D 2 = 0
>>> Determinant block D2 generated in 0.01 second(s)
>>> Determinant block D2 generated in 0.00 second(s)
>>> Generation of D11
Nb of determinants in D 11 = 144
>>> Determinant block D11 generated in 0.00 second(s)
......@@ -64,7 +64,7 @@ resta : cuo.
Nb of determinants in D-20 = 520
>>> Determinant block D-20 generated in 0.00 second(s)
Total Nb of determinant 7780
>>>Determinants generated in 0.40810600000000008 second(s)
>>>Determinants generated in 0.34387799999999996 second(s)
 
>>> Reading determinants in file bdet
 
......@@ -119,7 +119,7 @@ resta : cuo.
0101 0101 0.00000000 0.00136299
0011 0011 -0.00000000 -0.00133974
 
>>> Active space projection in CPU time 0.01s, Wall time 0.01 s
>>> Active space projection in CPU time 0.00s, Wall time 0.00 s
 
>>> Total WFs
1 0011 1100 -> -0.000404911523 0.000266018900
......@@ -8197,5 +8197,5 @@ resta : cuo.
 
<<< End of prop code >>>
 
Calculation finished in CPUtime 58.39s Walltime: 58.38s
Calculation finished on 28-10-2021 at 17:46
Calculation finished in CPUtime 4.41s Walltime: 2.69s
Calculation finished on 29-10-2021 at 11:45
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