/*
* Copyright 2009-2019 The VOTCA Development Team
* (http://www.votca.org)
*
* 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 "votca/xtp/ecpaoshell.h"
#include "votca/xtp/ecpaobasis.h"
#include <votca/xtp/aomatrix.h>
namespace votca {
namespace xtp {
std::ostream& operator<<(std::ostream& out, const ECPAOShell& shell) {
out << "AtomIndex:" << shell.getAtomIndex();
out << " Shelltype:" << shell.getType() << " L:" << shell.getL()
<< " NonLocal:" << shell.isNonLocal() << " Func:" << shell.getNumFunc()
<< "\n";
for (const auto& gaussian : shell) {
out << " Gaussian Decay: " << gaussian.getDecay();
out << " Power: " << gaussian.getPower();
out << " Contractions: " << gaussian.getContraction() << "\n";
}
return out;
}
} // namespace xtp
} // namespace votca