TABLE OF CONTENTS
::pwtk::sbco
NAME
::pwtk::sbco
DESCRIPTION
The SBCO stands for Scan-Bond Constrained-Optimization
This is an implementation of the goldie-oldie constrained type optimizations, i.e., SBCO performs a scan over the length of a specified bond and at each snapshot it optimizes the rest of the degrees of freedom.
BEWARE: the SBCO calculation requires external program: xsf2_manipulator