From f5adc0c91df3d6c00a770d1136f725a97de2b64c Mon Sep 17 00:00:00 2001 From: "Ryan M. Richard" Date: Wed, 24 Sep 2025 09:34:16 -0500 Subject: [PATCH] generalize collocation matrix --- .../integration_grids/collocation_matrix.hpp | 17 +++++++++++------ .../integration_grids/collocation_matrix.cpp | 9 +++++---- 2 files changed, 16 insertions(+), 10 deletions(-) diff --git a/include/simde/integration_grids/collocation_matrix.hpp b/include/simde/integration_grids/collocation_matrix.hpp index 89fff58..bee9497 100644 --- a/include/simde/integration_grids/collocation_matrix.hpp +++ b/include/simde/integration_grids/collocation_matrix.hpp @@ -21,20 +21,25 @@ namespace simde { -DECLARE_PROPERTY_TYPE(CollocationMatrix); +template +DECLARE_TEMPLATED_PROPERTY_TYPE(CollocationMatrix, QuantityToCollocate); -PROPERTY_TYPE_INPUTS(CollocationMatrix) { - using grid_type = chemist::Grid; - using ao_basis_type = simde::type::ao_basis_set; +template +TEMPLATED_PROPERTY_TYPE_INPUTS(CollocationMatrix, QuantityToCollocate) { + using grid_type = chemist::Grid; return pluginplay::declare_input() .add_field("Grid") - .add_field("AO Basis Set"); + .add_field("Quantity to Collocate"); } -PROPERTY_TYPE_RESULTS(CollocationMatrix) { +template +TEMPLATED_PROPERTY_TYPE_RESULTS(CollocationMatrix, QuantityToCollocate) { using result_type = simde::type::tensor; return pluginplay::declare_result().add_field( "Collocation Matrix"); } +using AOCollocationMatrix = CollocationMatrix; +using EDensityCollocationMatrix = CollocationMatrix; + } // namespace simde diff --git a/tests/cxx/unit_tests/integration_grids/collocation_matrix.cpp b/tests/cxx/unit_tests/integration_grids/collocation_matrix.cpp index 3e92ed6..e7359d5 100644 --- a/tests/cxx/unit_tests/integration_grids/collocation_matrix.cpp +++ b/tests/cxx/unit_tests/integration_grids/collocation_matrix.cpp @@ -17,9 +17,10 @@ #include "../test_property_type.hpp" #include -using property_type = simde::CollocationMatrix; +using property_types = + std::tuple; -TEST_CASE("CollocationMatrix") { - test_property_type({"Grid", "AO Basis Set"}, - {"Collocation Matrix"}); +TEMPLATE_LIST_TEST_CASE("CollocationMatrix", "", property_types) { + test_property_type({"Grid", "Quantity to Collocate"}, + {"Collocation Matrix"}); }