Contents

#! /usr/bin/env ruby
# coding: utf-8

require "optparse"

require "fileutils"
#require "rubygems"
#gem "vasputils"
require "vasputils"

## option analysis
OPTIONS = {}
op = OptionParser.new
op.on("-f"    , "--force"    , "Force to remove finished calc."){ OPTIONS[:force] = true}
op.parse!(ARGV)

ARGV.each do |tgt|
  # Checking directory for normal VASP.
  begin
    vd = VaspUtils::VaspDir.new(tgt)
  rescue VaspUtils::VaspDir.InitializeError
    puts "Not VaspDir: #{tgt}"
    next
  end

  # Delete
  if OPTIONS[:force] || (! vd.finished?)
    Dir.glob(tgt + "/*").each do |file|
      next if file == tgt + "/INCAR"
      next if file == tgt + "/KPOINTS"
      next if file == tgt + "/POSCAR"
      next if file == tgt + "/POTCAR"
      puts "Deleting #{file}"
      FileUtils.remove_entry_secure file
    end
  else
    puts "Leave finished calc: #{tgt}"
    next
  end
end

Version data entries

2 entries across 2 versions & 1 rubygems

Version	Path
vasputils-0.0.11	bin/rmvaspout
vasputils-0.0.10	bin/rmvaspout