TABLE OF CONTENTS

::pwtk::boxifyCell

SYNOPSIS

proc ::pwtk::boxifyCell {atmPos a {b ""} {c ""}} {

PURPOSE

Similar to ::pwtk::boxify but instead of the box edge lengths the orthorhombic cell parameters are returned as: 

      size_x  0.0  0.0
      0.0  size_y  0.0
      0.0  0.0  size_z

SOURCE

    return [m2cell [matricize [join [boxify $atmPos $a $b $c] x] ]]
}