MacroModel Reference Manual - ISP

Chapter 4: Operation CodesIf arg1=0, then arg4 is ignored. The amount of memory used for sparse Hessian isincreased automatically as needed.If arg1 is not 0 or 2, then arg4 is used to specify the amount of memory used forsparse Hessian storage.0 Default: 20 (MB)>0 Other value to be used.Note that the user-defined memory is evenly distributed between storage of Hessianvalues and storage of corresponding (i, j) indices.arg5 Accuracy of ARPACK calculation in terms of ABS(λ c – λ t ) < arg5* ABS(λ c )whereλ c is a calculated eigenvalue and λ t is the true eigenvalue.0 Default: 0.00010 Other value to be used.arg6Eigenvalue shift of spectral transformation. Used with arg1=3.0 Default: 5.0>0 Other value to be used.Spectral transformation transforms the eigenvalue spectrum such that the closesteigenvalue to arg5 becomes the largest eigenvalue and therefore, most likely the firsteigenvalue to be found by ARPACK.arg7Conjugate gradient tolerance criterion for spectral transformation. Usedwith arg1=3.0 Default: 0.01>0 Other value to be used.Spectral transformation involves minimum residual conjugate gradient iteration forwhich arg7 sets the convergence limit.100MacroModel 9.7 Reference Manual