bin/genkpoints in vasputils-0.0.11 vs bin/genkpoints in vasputils-0.0.12

- old
+ new

@@ -13,31 +13,31 @@ ##op.on("-p POTCAR", "--potcar=POTCAR", "Element data from POTCAR. (vasp 5 sytle POTCAR only.)"){|v| OPTIONS[:potcar] = v} ##op.on("-o", "--output-file", "Output to POTCAR file."){|v| OPTIONS[:potcar] = v} #op.parse!(ARGV) unless ARGV.size == 4 - puts "USAGE: genkpoints style kx ky kz" - puts " where style is m or g, indicating Monkhorst or GammaCenter, respectively." - puts " kx, ky, kz indicate mesh points for each direction." - exit + puts "USAGE: genkpoints style kx ky kz" + puts " where style is m or g, indicating Monkhorst or GammaCenter, respectively." + puts " kx, ky, kz indicate mesh points for each direction." + exit end data = {} if ARGV[0] =~ /^m/i - data[:type] = :monkhorst + data[:type] = :monkhorst elsif ARGV[0] =~ /^g/i - data[:type] = :gamma_center + data[:type] = :gamma_center else - puts "Unknown type. Exit." - exit + puts "Unknown type. Exit." + exit end data[:mesh] = ARGV[1..3].map do |i| - unless i.to_i - puts "Mesh divisions must be larger than 0. Exit" - exit - end - i.to_i + unless i.to_i + puts "Mesh divisions must be larger than 0. Exit" + exit + end + i.to_i end data[:shift] = [0.0, 0.0, 0.0] VaspUtils::Kpoints.dump(data, STDOUT)