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integrals_mm.cpp
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43 lines (38 loc) · 1.41 KB
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/*
* Copyright 2022 NWChemEx-Project
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
* You may obtain a copy of the License at
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
*/
#include "ao_integrals/ao_integrals.hpp"
#include "libint/libint.hpp"
#include <integrals/integrals_mm.hpp>
namespace integrals {
/** @brief Set default module relationships
*
* @param mm The Module Manager with modules whose defaults will be set
*
* @throw none No throw guarantee
*/
void set_defaults(pluginplay::ModuleManager& mm) {
const auto ao_driver = "AO integral driver";
mm.change_submod(ao_driver, "Kinetic", "Kinetic");
mm.change_submod(ao_driver, "Electron-Nuclear attraction", "Nuclear");
mm.change_submod("Four center J builder", "Four-center ERI", "ERI4");
mm.change_submod("Four center K builder", "Four-center ERI", "ERI4");
}
void load_modules(pluginplay::ModuleManager& mm) {
ao_integrals::load_modules(mm);
libint::load_modules(mm);
set_defaults(mm);
}
} // namespace integrals