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Comparing trunk/src/applications/hydrodynamics/ApproximationModel.hpp (file contents):
Revision 921 by tim, Wed Mar 29 18:09:26 2006 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC

# Line 6 | Line 6
6   * redistribute this software in source and binary code form, provided
7   * that the following conditions are met:
8   *
9 < * 1. Acknowledgement of the program authors must be made in any
10 < *    publication of scientific results based in part on use of the
11 < *    program.  An acceptable form of acknowledgement is citation of
12 < *    the article in which the program was described (Matthew
13 < *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14 < *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15 < *    Parallel Simulation Engine for Molecular Dynamics,"
16 < *    J. Comput. Chem. 26, pp. 252-271 (2005))
17 < *
18 < * 2. Redistributions of source code must retain the above copyright
9 > * 1. Redistributions of source code must retain the above copyright
10   *    notice, this list of conditions and the following disclaimer.
11   *
12 < * 3. Redistributions in binary form must reproduce the above copyright
12 > * 2. Redistributions in binary form must reproduce the above copyright
13   *    notice, this list of conditions and the following disclaimer in the
14   *    documentation and/or other materials provided with the
15   *    distribution.
# Line 37 | Line 28
28   * arising out of the use of or inability to use software, even if the
29   * University of Notre Dame has been advised of the possibility of
30   * such damages.
31 + *
32 + * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33 + * research, please cite the appropriate papers when you publish your
34 + * work.  Good starting points are:
35 + *                                                                      
36 + * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37 + * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 + * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 + * [4]  Vardeman & Gezelter, in progress (2009).                        
40   */
41   #ifndef APPLICATION_HYDRODYNAMICS_APPROXIMATIONMODEL_HPP
42   #define APPLICATION_HYDRODYNAMICS_APPROXIMATIONMODEL_HPP
# Line 48 | Line 48
48   #include "primitives/Molecule.hpp"
49   #include "utils/any.hpp"
50   #include "applications/hydrodynamics/HydrodynamicsModel.hpp"
51 < namespace oopse {
51 > namespace OpenMD {
52  
53 < class Shape;
54 < class ApproximationModel :  public HydrodynamicsModel {
55 <    public:
56 <        ApproximationModel(StuntDouble* sd, SimInfo* info);
57 <
58 <        virtual bool calcHydroProps(Spheric* spheric, double viscosity, double temperature);
59 <        virtual bool calcHydroProps(Ellipsoid* ellipsoid, double viscosity, double temperature);
60 <        virtual bool calcHydroProps(CompositeShape* compositexShape, double viscosity, double temperature);
61 <        virtual void init();
62 <        virtual void writeBeads(std::ostream& os);
63 <    private:
64 <        bool internalCalcHydroProps(Shape* shape, double viscosity, double temperature);
65 <
66 <        
67 <        virtual bool createBeads(std::vector<BeadParam>& beads) = 0;
68 <
69 <        bool calcHydroPropsAtCR(std::vector<BeadParam>& beads, double viscosity, double temperature, HydroProps& cr);
70 <        bool calcHydroPropsAtCD(std::vector<BeadParam>& beads, double viscosity, double temperature, HydroProps& cd);
71 <        std::vector<BeadParam> beads_;
53 >  class Shape;
54 >  class ApproximationModel :  public HydrodynamicsModel {
55 >  public:
56 >    ApproximationModel(StuntDouble* sd, SimInfo* info);
57 >    
58 >    virtual bool calcHydroProps(Shape* shape, RealType viscosity, RealType temperature);
59 >    virtual void init();
60 >    virtual void writeBeads(std::ostream& os);
61 >  private:
62 >    virtual bool createBeads(std::vector<BeadParam>& beads) = 0;
63 >    
64 >    bool calcHydroPropsAtCR(std::vector<BeadParam>& beads, RealType viscosity, RealType temperature, HydroProp* cr);
65 >    bool calcHydroPropsAtCD(std::vector<BeadParam>& beads, RealType viscosity, RealType temperature, HydroProp* cd);
66 >    std::vector<BeadParam> beads_;
67   };
68 +  
69  
74 –
70   }
71  
72   #endif

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