TABLE OF CONTENTS
::pwtk::runFLO
SYNOPSIS
proc ::pwtk::runFLO {head {ion_dynamics {}}} {
PURPOSE
Short-cut proc for ::pwtk::flo::run
ARGUMENTS
- head -- rootname (prefix) for I/O files, which will be $head.in, $head.out
- ion_dynamics -- ion_dynamics for pw.x relax calculation
SOURCE
if { $ion_dynamics != "" } { uplevel [list ::pwtk::flo::run $head $ion_dynamics] } else { uplevel [list ::pwtk::flo::run $head] } }