(* Usage: Please set the fowllowing variables from outside as command line arguments, like this: wolframscript -file psi4_value.wl psi4_file x y z for example: wolframscript -file psi4_value.wl psi4.txt 1.2 2.1 3.4 *) (* Parsing arguments *) argv = Rest@$ScriptCommandLine; (* Print[argv] *) Check[ psi4file = argv[[1]]; {x, y, z} = ToExpression[argv[[2]]]; , Print["Error: Check your command line arguments!"];Abort[] ]; psi4[r_, theta_, phi_] = ToExpression[Import[psi4file, "Text"] ]/.{t->0}; result = psi4@@ToSphericalCoordinates[{x,y,z}] Print[Re@result, " ", Im@result]