CamCASP/Bugs/2

2. Problem with read_mo_coeffs.

Changing the .AO DELETE parameter to 1e-12 or even zero doesn't fix this problem. Maybe the number of MOs should be passed from Dalton to camcasp?

ERROR in read_mo_coeffs
  Error reading MO file vectA.data
  * Maybe this file does not correspond to this given basis?
  * Was the MO file generated by code compiled with the same
    compiler as CamCASP?
  * If orbitals were deleted by the SCF code due to linear
    dependencies, there would be an inconsistency in the no. of MOs
    on file and the no. of MOs expected by this code. 
    For DALTON, use the .AO DELETE command to prevent deletion.
  Basis name is CO2_a
        size =           276
  IOSTAT =           219
ERROR code            -1  from routine read_mo_coeffs
which was called by routine fill_mo_data
at line number           632
ERROR code            -1  from routine fill_mo_data
which was called by routine create_molecule
at line number           467

AJS