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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 2095 by gezelter, Wed Mar 9 15:44:59 2005 UTC vs.
Revision 2547 by gezelter, Wed Jan 11 23:06:08 2006 UTC

# Line 46 | Line 46
46  
47   #include "config.h"
48   #include "types/AtomTypeProperties.h"
49 +
50 + #define setElectrostaticSumMethod FC_FUNC(setelectrostaticsummethod, SETELECTROSTATICSUMMETHOD)
51 + #define setScreeningMethod FC_FUNC(setscreeningmethod, SETSCREENINGMETHOD)
52 + #define setElectrostaticCutoffRadius FC_FUNC(setelectrostaticcutoffradius, SETELECTROSTATICCUTOFFRADIUS)
53 + #define setDampingAlpha FC_FUNC(setdampingalpha, SETDAMPINGALPHA)
54 + #define setReactionFieldDielectric FC_FUNC(setreactionfielddielectric, SETREACTIONFIELDDIELECTRIC)
55  
56 < #define newElectrostaticType F90_FUNC(newelectrostatictype, NEWELECTROSTATICTYPE)
57 < #define setCharge F90_FUNC(setcharge, SETCHARGE)
58 < #define setDipoleMoment F90_FUNC(setdipolemoment, SETDIPOLEMOMENT)
59 < #define setSplitDipoleDistance F90_FUNC(setsplitdipoledistance, SETSPLITDIPOLEDISTANCE)
56 > #define newElectrostaticType FC_FUNC(newelectrostatictype, NEWELECTROSTATICTYPE)
57 > #define setCharge FC_FUNC(setcharge, SETCHARGE)
58 > #define setDipoleMoment FC_FUNC(setdipolemoment, SETDIPOLEMOMENT)
59 > #define setSplitDipoleDistance FC_FUNC(setsplitdipoledistance, SETSPLITDIPOLEDISTANCE)
60  
61 < #define setQuadrupoleMoments F90_FUNC(setquadrupolemoments, SETQUADRUPOLEMOMENTS)
61 > #define setQuadrupoleMoments FC_FUNC(setquadrupolemoments, SETQUADRUPOLEMOMENTS)
62  
63 + #define destroyElectrostaticTypes FC_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 73 | Line 87 | extern "C"{
87    void setQuadrupoleMoments( int* c_ident,
88                               double* quadrupole_moments,
89                               int* status);
90 +        
91 +  void destroyElectrostaticTypes(void);
92   }  
93   #endif
94  

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