TABLE OF CONTENTS


::pwtk::pwi::substituteAtoms

SYNOPSIS

proc ::pwtk::pwi::substituteAtoms {args} {

USAGE

   ::pwtk::pwi::substituteAtoms index1 newType1  ?index2 newType2?  ...

PURPOSE

Substitute specified atoms in ATOMIC_POSITIONS with new atomic types. The first atom has index 1.

ARGUMENTS

SOURCE

    foreach {ind type} [concat {*}$args] {
        print "ind=$ind type=$type"
        ::pwtk::pwi::substituteAtom $ind $type
    }
    return [::pwtk::pwi::getAtmPos]
}