Syntax
IMP SOLVE repeat(imp-solve-options)
imp-solve-options ::= [MAXIter integer]
[OUTIter integer]
[TOLErance real]
Function
Performs the iteration to self-consistency of the induced multipoles.
Iteration parameters can be set on the command line. MAXIter integer sets the maximum number of iterations (default 20). OUTIter integer prints the convergence status every integer iterations. Zero, the default value, indicates that the convergence status should only be printed at termination. TOLErance real sets the fractional change in the total energy below which iteration will be terminated to real (default 1.E-06). Values specified on the IMP SOLVE line override those specified with the IMP SETUP command, or any previous IMP SOLVE commands.