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

- old
+ new

@@ -19,21 +19,21 @@ #elements = ARGV encut = ARGV[0].to_i if encut == 0 - puts "ENCUT must be indicated as an argument." - exit + puts "ENCUT must be indicated as an argument." + exit end setting = VaspUtils::Setting.new items = setting["incar_default"] #potcar = VaspUtils::Potcar.parse["ENMAX"] * 1.3 #items["ENCUT"] = VaspUtils::Potcar.parse["ENMAX"] * 1.3 items["ENCUT"] = encut VaspUtils::Incar.dump(items, STDOUT) -# setting['potcar_dir'], -# setting['element_potcar'] +# setting['potcar_dir'], +# setting['element_potcar'] #) #vpc.dump(elements, STDOUT)