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