TABLE OF CONTENTS

::pwtk::molecularpdos

SYNOPSIS

proc ::pwtk::molecularpdos {molecularpdos} {

PURPOSE

Explicitly set the full pathname/filename for molecularpdos.x executable (i.e. /full/path/to/molecularpdos.x).

RETURN VALUE

The value of the molecularpdos.

SOURCE

    variable QEprog

    if { ! [file executable $molecularpdos] } {
        ::pwtk::error "specified molecularpdos.x program \"$molecularpdos\" is not executable."
    }
    return [set QEprog(MOLECULARPDOS) $molecularpdos]
}