task qmmm tddft optimize

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Dear NWChem developers and users!

I would like to know if CIS geometry optimization can be carried when using QM/MM.

In my output file after successful calculation of scf, excited state energy and gradients i get the following errors:

TDDFT Gradient time  cpu:      808.4s  wall:      574.9s
Bq nuclear interaction energy = -52.9201264374277
Calculating forces on classical charges
---------------------------------------
Total number of charges 8
rtdb_cget: array element is too small
rtdb_cget: name was <<task:theory>>
rtdb_cget: array element is too small
rtdb_cget: name was <<task:theory>>
rtdb_cget: array element is too small
rtdb_cget: array element is too small
rtdb_cget: name was <<task:theory>>
rtdb_cget: name was <<task:theory>>
rtdb_cget: array element is too small
rtdb_cget: name was <<task:theory>>
rtdb_cget: array element is too small
rtdb_cget: name was <<task:theory>>
rtdb_cget: array element is too small
rtdb_cget: name was <<task:theory>>
rtdb_cget: array element is too small
rtdb_cget: name was <<task:theory>>
rtdb_cget: array element is too small
rtdb_cget: name was <<task:theory>>
------------------------------------------------------------------------
hnd_property: theory not specified 555
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
162: task qmmm tddft optimize
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------

This output is with the
   nwchem branch   = 6.5
nwchem revision = 26243

Thank you!
Edited On 7:21:54 PM PDT - Sat, Apr 2nd 2016 by Polyakoviv


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