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root/group/trunk/OOPSE-4/src/UseTheForce/doForces_interface.h
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Comparing trunk/OOPSE-4/src/UseTheForce/doForces_interface.h (file contents):
Revision 2547 by gezelter, Wed Jan 11 23:06:08 2006 UTC vs.
Revision 3129 by chrisfen, Fri Apr 20 18:15:48 2007 UTC

# Line 47 | Line 47
47  
48   #define initFortranFF FC_FUNC(initfortranff, INITFORTRANFF)
49   #define doForceLoop FC_FUNC(doforceloop, DOFORCELOOP)
50 + #define getAccumulatedBoxDipole FC_FUNC(getaccumulatedboxdipole, GETACCUMULATEDBOXDIPOLE)
51 + #define setAccumulateBoxDipole FC_FUNC(setaccumulateboxdipole, SETACCUMULATEBOXDIPOLE)
52   #define setFortranElectrostaticMethod FC_FUNC(setfortranelectrostaticmethod, SETFORTRANELECTROSTATICMETHOD)
53   #define notifyFortranCutoffPolicy FC_FUNC(notifyfortrancutoffpolicy, NOTIFYFORTRANCUTOFFPOLICY)
54   #define notifyFortranSkinThickness FC_FUNC(notifyfortranskinthickness, NOTIFYFORTRANSKINTHICKNESS)
# Line 57 | Line 59 | extern "C"{
59    
60    void initFortranFF( int* isError );        
61  
62 <  void doForceLoop( double* positionArray,
63 <                    double* rcArray,
64 <                    double* RotationMatrixArray,
65 <                    double* unitVectorArray_l,
66 <                    double* forceArray,
67 <                    double *torqueArray,
68 <                    double* StressTensor,
69 <                    double* potentialEnergy,
62 >  void doForceLoop( RealType* positionArray,
63 >                    RealType* rcArray,
64 >                    RealType* RotationMatrixArray,
65 >                    RealType* unitVectorArray_l,
66 >                    RealType* forceArray,
67 >                    RealType *torqueArray,
68 >                    RealType* StressTensor,
69 >                    RealType* potentialEnergy,
70                      short int* doPotentialCalc,
71                      short int* doStressCalc,
72                      int* isError );
73  
74 +  void getAccumulatedBoxDipole( RealType* boxDipole );
75 +
76 +  void setAccumulateBoxDipole();
77 +
78    void setFortranElectrostaticMethod( int* electrostaticMethod );
79  
80    void notifyFortranCutoffPolicy( int* cutPolicy );
81  
82 <  void notifyFortranSkinThickness( double *skinThickness );
82 >  void notifyFortranSkinThickness( RealType *skinThickness );
83  
84 <  void notifyFortranCutoffs( double *rCut,
85 <                             double *rSw );
84 >  void notifyFortranCutoffs( RealType *rCut,
85 >                             RealType *rSw,
86 >                             bool *ljsp,
87 >                             bool *ljsf);
88  
89    void notifyFortranYouAreOnYourOwn( );
90  

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