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26.4.1 Saving the wavefunction SAVE

The wavefunction can be saved for later restart using

SAVE,record

where record has the usual form, e.g., 4000.2 means record 4000 on file 2. If this command is given, the domain information as well as the amplitudes are saved (for MPn the amplitudes are not saved). If just the domain information should be stored, the SAVE option on the LOCAL card can also be used (cf. section 22.5).



P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002