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Added zenodo config file and self energy test
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.zenodo.json

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{
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"creators": [
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{
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"name": "Björn Stenqvist",
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"affiliation": "Division of Physical Chemistry, Department of Chemistry, Lund University, Sweden",
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"orcid": "0000-0002-9099-0663"
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},
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{
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"name": "Mikael Lund",
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"affiliation": "Division of Theoretical Chemistry, Department of Chemistry, Lund University, Sweden",
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"orcid": "0000-0001-8178-8175"
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}
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],
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"keywords": [
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"electrostatics",
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"molecular dynamics",
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"monte carlo",
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"intermolecular interactions",
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"multipoles",
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"electric field"
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],
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"license": "mit-license",
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"upload_type": "software"
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}

test/unittests.cpp

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@@ -662,6 +662,7 @@ TEST_CASE("[CoulombGalore] Splined") {
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CHECK(pot.short_range_function_second_derivative(0.5) == Approx(3.36159125).epsilon(tol));
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CHECK(pot.short_range_function_third_derivative(0.5) == Approx(-21.54779991).epsilon(tol));
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CHECK(pot.short_range_function(1.0) == Approx(0.0).epsilon(tol));
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CHECK(pot.self_energy({4.0, 0.0}) == Approx( Wolf(alpha, cutoff).self_energy({4.0, 0.0}) ) );
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}
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SUBCASE("Poisson") {

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