From: Francis Russell Date: Mon, 9 Apr 2012 08:06:04 +0000 (+0100) Subject: Include indexing in trivial test input. X-Git-Url: https://git.unchartedbackwaters.co.uk/w/?a=commitdiff_plain;h=74627c9fd30e1a1597b7b5903183ce58d8729d60;p=francis%2Fofc.git Include indexing in trivial test input. --- diff --git a/examples/test.ofl b/examples/test.ofl index d65c864..a248f18 100644 --- a/examples/test.ofl +++ b/examples/test.ofl @@ -1,12 +1,13 @@ # Parameter information Matrix kinet -FunctionSet bra +FunctionSet ket +Index beta # Computation -kinet = bra +kinet = ket[beta] # Implementation specific target ONETEP kinet is SPAM3("kinet") -bra is PPDFunctionSet("bra_basis", "bras_on_grid") +ket is PPDFunctionSet("ket_basis", "kets_on_grid") output is FortranFunction("integrals_kinetic", ["kinet", "bras_on_grid", "bra_basis", "kets_on_grid", "ket_basis"])