*performance test 904
*Responsible person: Per-Åke Malmqvist
*Testing: SEWARD, RASSCF(CIONLY), 2*H2O
*Runtime: about 6.5 min.
*-------------------------------------------------------------------------------
>>export MOLCAS_MOLDEN=OFF
>>export MOLCAS_NOCHECK=POTNUC,SEWARD_MLTPL1X,SEWARD_KINETIC,SEWARD_ATTRACT
 &SEWARD &END
Pkthre
1.0D-11
Basis set
O.ANO-S...3s2p1d.
O1       .00000000  -4.00000000    .00000000
O2       .00000000   4.00000000    .00000000
End of basis
Basis set
H.ANO-S...2s1p.
H1A     1.43354233  -4.00000000    .95295406
H1B    -1.43354233  -4.00000000    .95295406
H2A     1.43354233   4.00000000    .95295406
H2B    -1.43354233   4.00000000    .95295406
End of basis
NOGUess
NoCD
End of input
*-------------------------------------------------------------------------------
>> COPY StartOrb INPORB

>>export MOLCAS_NOCHECK=RASSCF_ITER,MLTPL
 &RASSCF &END
Title
 A couple of water molecules
Lumorb
Nactel
 12  0  0
Spin
  1
Inactive
   4
Ras2
  12
CIOnly
End of input
*-------------------------------------------------------------------------------

>> FILE StartOrb
#INPORB 1.1
#INFO
* RASSCF average (pseudo-natural) orbitals
       0       1
      48
      48
#ORB
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#OCC
* OCCUPATION NUMBERS
0.200000000000E+010.200000000000E+010.200000000000E+010.200000000000E+01
0.200000000000E+010.200000000000E+010.198251294158E+010.198248995435E+01
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0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
#ONE
* ONE ELECTRON ENERGIES
-.205434360000E+02-.205434355239E+02-.104908216951E+01-.104900201914E+01
-.518673768443E+00-.514556721048E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.177083218316E+000.248155751299E+00
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0.106626913840E+010.108423745036E+010.113374933692E+010.115420479723E+01
0.138956951513E+010.142375159196E+010.162289818287E+010.164379274655E+01
0.172745992815E+010.175165399273E+010.230112799965E+010.233304356111E+01
0.241720504469E+010.251013720154E+010.276245247756E+010.281338243749E+01
0.285160774105E+010.293221568885E+010.305382402248E+010.306583892640E+01
0.360393554363E+010.367723849043E+010.389545318257E+010.393051150401E+01
#INDEX
* 1234567890
0 IIIIII2222
1 2222SSSSSS
2 SSSSSSSSSS
3 SSSSSSSSSS
4 SSSSSSSS
>> EOF

>>FILE checkfile
* This file is autogenerated:
* Molcas version 20.10-241-g70ed4f8b
* Linux otis 4.15.0-1073-oem #83-Ubuntu SMP Mon Feb 17 11:21:18 UTC 2020 x86_64 x86_64 x86_64 GNU/Linux
* Fri Nov 27 16:36:22 2020
*
#>>   1
#>>   2
#> E_RASSCF="-152.177008030041"/8
>>EOF