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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Acknowledgement of the program authors must be made in any |
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* publication of scientific results based in part on use of the |
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* program. An acceptable form of acknowledgement is citation of |
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* the article in which the program was described (Matthew |
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* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
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* Parallel Simulation Engine for Molecular Dynamics," |
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* J. Comput. Chem. 26, pp. 252-271 (2005)) |
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* |
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* 2. Redistributions of source code must retain the above copyright |
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* 1. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 3. Redistributions in binary form must reproduce the above copyright |
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* 2. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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* |
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* |
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* shapedLatticeSpherical.hpp |
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* OOPSE-3.0 |
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* |
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* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
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* research, please cite the appropriate papers when you publish your |
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* work. Good starting points are: |
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* |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * |
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* Created by Charles F. Vardeman II on 3/15/06. |
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* @author Charles F. Vardeman II |
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* @version $Id: shapedLatticeSpherical.hpp,v 1.1 2006-03-22 20:57:09 chuckv Exp $ |
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* @version $Id$ |
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* |
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*/ |
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#ifndef NANOPARTICLEBUILDER_SHAPEDLATTICESPHERICAL_HPP |
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#include "lattice/shapedLattice.hpp" |
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#include "math/Vector3.hpp" |
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namespace oopse{ |
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namespace OpenMD{ |
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/** |
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* Implements a spherical lattice |
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* |
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*/ |
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* Implements a spherical lattice |
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* |
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*/ |
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class shapedLatticeSpherical: public shapedLattice{ |
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public: |
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shapedLatticeSpherical(double latticeConstant,std::string latticeType,double radius); |
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public: |
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shapedLatticeSpherical(RealType latticeConstant, std::string latticeType, RealType radius); |
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virtual bool isInterior(Vector3d point); |
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private: |
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double sphereRadius_; |
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private: |
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RealType sphereRadius_; |
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}; |
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} |
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|
