Supported quantum chemical packages

The output files generated by the following quantum chemical packages are recognized:



QM programoutput file
ADF formatted TAPE21
GAMESS GAMESS output file, WFN file
Gaussian formatted checkpoint file, WFN file
MOLCAS molden format
Molpro
Tonto
Turbomole
FHI-aims dgrid-aims.dat file


The output files are processed by DGrid conversion routine using the command:

   dgrid    output_file_name

which yields for all the above packages unique data file with the information
about the molecular geometry, basis, molecular orbitals, and possibly the density
matrices.