Print some of the working in subroutine DERIV. Quantities printed are:
(A) The geometry using in the derivative calculation.
(B) The gradients of the coordinates flagged for optimization. Units:
kcal/mol/Angstrom and kcal/mol/radian (for angles and dihedrals)
These are the values that will be passed back from subroutine DERIV.
(C) The values of the coordinates flagged for optimization. Units:
Angstroms and radians.
Some of the working in subroutines within DERIV can be printed, see DCART and DERNVO,