Specifies whether the anharmonic force field is calculated using analytic gradients (=FIRST) or analytic Hessians (=SECOND). Type: string Possible Values: FIRST, SECOND Default: SECOND
Specifies whether the anharmonic force field is calculated using analytic gradients (=FIRST) or analytic Hessians (=SECOND).
CFOUR_ANH_ALGORITHM
CFOUR_ANH_STEPSIZE
Enter search terms or a module, class or function name.