#! /usr/bin/env ruby # coding: utf-8 require "optparse" require "rubygems" require "vasputils" ## option analysis OPTIONS = {} op = OptionParser.new op.on("--ka=list" , "List of k_a mesh." ){|v| OPTIONS[:ka] = v} op.on("--kb=list" , "List of k_b mesh." ){|v| OPTIONS[:kb] = v} op.on("--kc=list" , "List of k_c mesh." ){|v| OPTIONS[:kc] = v} op.on("--kab=list" , "List of k_a and k_b mesh." ){|v| OPTIONS[:kab] = v} op.on("--kbc=list" , "List of k_b and k_c mesh." ){|v| OPTIONS[:kbc] = v} op.on("--kca=list" , "List of k_c and k_a mesh." ){|v| OPTIONS[:kca] = v} op.on("--kabc=list" , "List of k_a, k_b and k_c mesh."){|v| OPTIONS[:kabc] = v} op.on("--encut=list", "List of ENCUT." ){|v| OPTIONS[:encut] = v} op.parse!(ARGV) unless ARGV.size == 1 puts "Only one file is allowed." exit end cv = VaspUtils::ConditionVarier.new(ARGV[0], OPTIONS) cv.generate_condition_dirs