PWTK 2.0 -- PWscf ToolKit
4.6. StructuralUtilities
Sections
TABLE OF CONTENTS
generic_struct_utils
::pwtk::atmPosToCoor
::pwtk::coorToAtmPos
::pwtk::deleteCoor
::pwtk::deleteCoorRange
::pwtk::getNAtoms
::pwtk::norm
::pwtk::norm3
::pwtk::purifyCoor
::pwtk::purifyVec
::pwtk::scaleAtmPos
::pwtk::scaleCoor
::pwtk::scaleVec
::pwtk::shiftAtmPos
::pwtk::shiftCoor
generic_struct_utils
DESCRIPTION
Collections of routines that manipulate supplied vectors and coordinates.