Next: 40.10.10 Orthogonality constraints Up: 40.10 Point group symmetry Previous: 40.10.8 Freezing structure coefficients

40.10.9 Deleting structures from the optimization

DELSTRUC,i$_1$, i$_2$,...,[ALL],[NONE];

Deletes the specified structures from the wavefunction. The special keywords ALL or NONE may be used. A structure coefficient may already be zero by symmetry (as defined by SYMELM and ORBREL), in which case deleting it has no effect.


molpro@molpro.net
Oct 10, 2007