orthorhombicbox.cc

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/*
 * Copyright 2009-2020 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.
 *
 */
 
// Local VOTCA includes
#include "votca/csg/orthorhombicbox.h"
 
namespace votca {
namespace csg {
 
Eigen::Vector3d OrthorhombicBox::BCShortestConnection(
    const Eigen::Vector3d &r_i, const Eigen::Vector3d &r_j) const {
  const Eigen::Array3d box = box_.diagonal();
  const Eigen::Array3d r_ij = r_j - r_i;
  return (r_ij - box * (r_ij / box).round()).matrix();
}
 
}  // namespace csg
}  // namespace votca