HvD: If one changes uses the set directive to swap geometries and the geometries have the same number of atoms, then COSMO would use the atom radii of the old geometry. I.e. incorrect radii would be put on the atoms of the second geometry.  The fix is to store with COSMO for which geometry the parameters are valid. If the current geometry does not match that geometry all the radii are deleted from the RTDB. This way the correct defaults are used. If the radii are specified in the COSMO input block then the data will be stored along with the correct geometry name. In that case the radii from the RTDB will be used.
HvD: If one changes uses the set directive to swap geometries and the
geometries have the same number of atoms, then COSMO would use the atom
radii of the old geometry. I.e. incorrect radii would be put on the atoms
of the second geometry. 
The fix is to store with COSMO for which geometry the parameters are valid.
If the current geometry does not match that geometry all the radii are
deleted from the RTDB. This way the correct defaults are used. If the
radii are specified in the COSMO input block then the data will be stored
along with the correct geometry name. In that case the radii from the RTDB
will be used.





rangsimanketkaew/NWChem