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37.9.1 Optimization criterion
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37 THE VB PROGRAM
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37.8 Permuting orbitals
37.9 Optimization control
Subsections
37.9.1 Optimization criterion
37.9.2 Number of iterations
37.9.3 CASSCF-projected structure coefficients
37.9.4 Saddle-point optimization
37.9.5 Defining several optimizations
37.9.6 Multi-step optimization
molpro@molpro.net
Sep 24, 2008