<commit_before>/*
 *            Copyright 2009-2018 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.
 *
 */
/// For an earlier history see ctp repo commit <PASSWORD>


#include <votca/ctp/molpolengine.h>

namespace votca {
namespace ctp {

    
matrix MolPolEngine::CalculateMolPol(vector<APolarSite*> &poles, bool verbose) {

    vector<APolarSite*> ::iterator pit;

    double axx, axy, axz;             // |
    double ayx, ayy, ayz;             // |-> Polarizability tensor
    double azx, azy, azz;             // |
<commit_msg>Updated molpolengine.cc includes and namespace<commit_after>/*
 *            Copyright 2009-2018 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.
 *
 */
/// For an earlier history see ctp repo commit <PASSWORD>

#include <votca/xtp/molpolengine.h>

namespace votca {
namespace xtp {
    
matrix MolPolEngine::CalculateMolPol(vector<APolarSite*> &poles, bool verbose) {

    vector<APolarSite*> ::iterator pit;

    double axx, axy, axz;             // |
    double ayx, ayy, ayz;             // |-> Polarizability tensor
    double azx, azy, azz;             // |

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{'dir': 'git-commits-cleaned', 'id': '5801425', 'n_tokens_mistral': 658, 'n_tokens_neox': 625, 'n_words': 250}