TABLE OF CONTENTS
::pwtk::pwi::getAllAtomicLabels
SYNOPSIS
proc ::pwtk::pwi::getAllAtomicLabels {} {
PURPOSE
Return all atomic labels specified ATOMIC_SPECIES card.
SOURCE
set save_input [::pwtk::input::get_] if { [info exists ::pwtk::pwi::all_atomic_species] \ && $::pwtk::pwi::all_atomic_species != {} } { # we are in the midst of pw.x input creation and the # ATOMIC_SPECIES were already filtered; use the # ::pwtk::pwi::all_atomic_species instead set atomic_species $::pwtk::pwi::all_atomic_species } elseif { [info exists ::pwtk::nebi::all_atomic_species] \ && $::pwtk::nebi::all_atomic_species != {} } { # we are in the midst of neb.x input creation and the # ATOMIC_SPECIES were already filtered; use the # ::pwtk::nebi::all_atomic_species instead set atomic_species $::pwtk::nebi::all_atomic_species } else { set atomic_species [::pwtk::input::cardGetContent ATOMIC_SPECIES] } set result {} foreach line [split $atomic_species \n] { if { [string is space $line] } { continue } lappend result [lindex $line 0] } ::pwtk::input::set_ $save_input return $result }