TABLE OF CONTENTS
::pwtk::atmPosToBarycenter
SYNOPSIS
proc ::pwtk::atmPosToBarycenter {atmPos} {
PURPOSE
Shift atomic positions "atmPos" such that barycenter is at "0 0 0".
ARGUMENTS
- atmPos -- atomic positions (atSym x y z [ix iy iz] per line)
RETURN VALUE
Shifted atomic positions.
SOURCE
return [::pwtk::atmPosTo $atmPos 0.0 0.0 0.0] }