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root/group/trunk/OOPSE-4/src/UseTheForce/DarkSide/electrostatic_interface.h
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Comparing trunk/OOPSE-4/src/UseTheForce/DarkSide/electrostatic_interface.h (file contents):
Revision 2189 by chuckv, Wed Apr 13 20:36:45 2005 UTC vs.
Revision 2508 by gezelter, Mon Dec 12 19:32:50 2005 UTC

# Line 46 | Line 46
46  
47   #include "config.h"
48   #include "types/AtomTypeProperties.h"
49 +
50 + #define setElectrostaticSumMethod F90_FUNC(setelectrostaticsummethod, SETELECTROSTATICSUMMETHOD)
51 + #define setScreeningMethod F90_FUNC(setscreeningmethod, SETSCREENINGMETHOD)
52 + #define setElectrostaticCutoffRadius F90_FUNC(setelectrostaticcutoffradius, SETELECTROSTATICCUTOFFRADIUS)
53 + #define setDampingAlpha F90_FUNC(setdampingalpha, SETDAMPINGALPHA)
54 + #define setReactionFieldDielectric F90_FUNC(setreactionfielddielectric, SETREACTIONFIELDDIELECTRIC)
55  
56   #define newElectrostaticType F90_FUNC(newelectrostatictype, NEWELECTROSTATICTYPE)
57   #define setCharge F90_FUNC(setcharge, SETCHARGE)
# Line 56 | Line 62 | extern "C"{
62  
63   #define destroyElectrostaticTypes F90_FUNC(destroyelectrostatictypes,DESTROYELECTROSTATICTYPES)
64   extern "C"{
65 +
66 +  void setElectrostaticSumMethod( int* theESM );
67 +  void setScreeningMethod( int* theSM );
68 +  void setElectrostaticCutoffRadius( double* theECR, double* theRSW );
69 +  void setDampingAlpha( double* theDA );
70 +  void setReactionFieldDielectric( double* theDielectric );
71 +
72    void newElectrostaticType( AtomTypeProperties* atp,
73                               int* status);
74    
# Line 75 | Line 88 | extern "C"{
88                               double* quadrupole_moments,
89                               int* status);
90          
91 <        void destroyElectrostaticTypes(void);
91 >  void destroyElectrostaticTypes(void);
92   }  
93   #endif
94  

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