TABLE OF CONTENTS


::pwtk::atmPosToBarycenter

SYNOPSIS

proc ::pwtk::atmPosToBarycenter {atmPos} {

PURPOSE

Shift atomic positions "atmPos" such that barycenter is at "0 0 0".

ARGUMENTS

RETURN VALUE

Shifted atomic positions.

SOURCE

    return [::pwtk::atmPosTo $atmPos 0.0 0.0 0.0]
}