Contents

require "vasputils.rb"

#
# Class for dealing with POTCAR.
#
module VaspUtils::Potcar
  def self.load_file(file)
    results = {}
    results[:name] = file

    elements = Array.new
    File.open( file, "r" ).each do |line|
      if line =~ /VRHFIN\s*=\s*([A-Za-z]*)/
        elements << $1
      end
    end
    results[:elements] = elements
    results
  end
end

Version data entries

2 entries across 2 versions & 1 rubygems

Version	Path
vasputils-0.0.11	lib/vasputils/potcar.rb
vasputils-0.0.10	lib/vasputils/potcar.rb