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32.8.3 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 directive 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 directive must be used (cf. section 32.3).



molpro@molpro.net 2017-07-24