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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 setElectrostaticSumMethod FC_FUNC(setelectrostaticsummethod, SETELECTROSTATICSUMMETHOD) |
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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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|
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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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|
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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 ); |
