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#include "config.h" |
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#include "types/AtomTypeProperties.h" |
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#define setElectrostaticSumMethod F90_FUNC(setelectrostaticsummethod, SETELECTROSTATICSUMMETHOD) |
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#define setScreeningMethod F90_FUNC(setscreeningmethod, SETSCREENINGMETHOD) |
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#define setElectrostaticCutoffRadius F90_FUNC(setelectrostaticcutoffradius, SETELECTROSTATICCUTOFFRADIUS) |
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#define setDampingAlpha F90_FUNC(setdampingalpha, SETDAMPINGALPHA) |
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#define setReactionFieldDielectric F90_FUNC(setreactionfielddielectric, SETREACTIONFIELDDIELECTRIC) |
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> |
#define setElectrostaticSummationMethod FC_FUNC(setelectrostaticsummationmethod, SETELECTROSTATICSUMMATIONMETHOD) |
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#define setScreeningMethod FC_FUNC(setscreeningmethod, SETSCREENINGMETHOD) |
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#define setElectrostaticCutoffRadius FC_FUNC(setelectrostaticcutoffradius, SETELECTROSTATICCUTOFFRADIUS) |
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#define setDampingAlpha FC_FUNC(setdampingalpha, SETDAMPINGALPHA) |
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#define setReactionFieldDielectric FC_FUNC(setreactionfielddielectric, SETREACTIONFIELDDIELECTRIC) |
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#define newElectrostaticType F90_FUNC(newelectrostatictype, NEWELECTROSTATICTYPE) |
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#define setCharge F90_FUNC(setcharge, SETCHARGE) |
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#define setDipoleMoment F90_FUNC(setdipolemoment, SETDIPOLEMOMENT) |
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#define setSplitDipoleDistance F90_FUNC(setsplitdipoledistance, SETSPLITDIPOLEDISTANCE) |
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#define newElectrostaticType FC_FUNC(newelectrostatictype, NEWELECTROSTATICTYPE) |
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#define setCharge FC_FUNC(setcharge, SETCHARGE) |
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#define setDipoleMoment FC_FUNC(setdipolemoment, SETDIPOLEMOMENT) |
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#define setSplitDipoleDistance FC_FUNC(setsplitdipoledistance, SETSPLITDIPOLEDISTANCE) |
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#define setQuadrupoleMoments F90_FUNC(setquadrupolemoments, SETQUADRUPOLEMOMENTS) |
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#define setQuadrupoleMoments FC_FUNC(setquadrupolemoments, SETQUADRUPOLEMOMENTS) |
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#define destroyElectrostaticTypes F90_FUNC(destroyelectrostatictypes,DESTROYELECTROSTATICTYPES) |
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#define destroyElectrostaticTypes FC_FUNC(destroyelectrostatictypes,DESTROYELECTROSTATICTYPES) |
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extern "C"{ |
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void setElectrostaticSumMethod( int* theESM ); |
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void setElectrostaticSummationMethod( int* theESM ); |
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void setScreeningMethod( int* theSM ); |
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void setElectrostaticCutoffRadius( double* theECR, double* theRSW ); |
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void setDampingAlpha( double* theDA ); |
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void setReactionFieldDielectric( double* theDielectric ); |
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void setElectrostaticCutoffRadius( RealType* theECR, RealType* theRSW ); |
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void setDampingAlpha( RealType* theDA ); |
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void setReactionFieldDielectric( RealType* theDielectric ); |
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void newElectrostaticType( AtomTypeProperties* atp, |
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int* status); |
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void setCharge( int* c_ident, |
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double* charge, |
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RealType* charge, |
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int* status); |
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void setDipoleMoment( int* c_ident, |
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double* dipole_moment, |
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RealType* dipole_moment, |
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int* status); |
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void setSplitDipoleDistance( int* c_ident, |
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double* split_dipole_distance, |
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RealType* split_dipole_distance, |
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int* status); |
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void setQuadrupoleMoments( int* c_ident, |
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double* quadrupole_moments, |
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RealType* quadrupole_moments, |
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int* status); |
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void destroyElectrostaticTypes(void); |
