The ADF-GUI modules
- ADFinput - builds the input for an ADF calculation
- ADFview - displays 3-D (volume) data, such as electron densities, orbitals, electrostatic potentials
- ADFspectra - shows spectra calculated by ADF, like IR and excitation spectra
- ADFmovie - follows geometry steps of geometry optimizations, IRC calculations, etc
- ADFlevels - shows energy diagram
- ADFtail - follows the progress of an ADF calculation
- BOB - browses the output generated by ADF
The modules can be started from $ADFBIN or from a different module using the SCM menu.
| module | $ADFBIN | file extension | SCM menu |
|---|---|---|---|
| ADFinput | adfinput | .adf | Input |
| ADFview | adfview | .t21 .t41 | View |
| ADFspectra | adfspectra | .t21 | Spectra |
| ADFmovie | adfmovie [-loop] | .amv .logfile .t21 | Movie |
| ADFlevels | adflevels | .t21 | Levels |
| ADFtail | adftail | .logfile | Logfile |
| BOB | bob | .out | Output |
