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#include "types/AtomTypeProperties.h" |
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#define setElectrostaticSummationMethod F90_FUNC(setelectrostaticsummationmethod, SETELECTROSTATICSUMMATIONMETHOD) |
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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 setDampedWolfAlpha F90_FUNC(setdampedwolfalpha, SETDAMPEDWOLFALPHA) |
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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 newElectrostaticType F90_FUNC(newelectrostatictype, NEWELECTROSTATICTYPE) |
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extern "C"{ |
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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 setDampedWolfAlpha( double* theDWA ); |
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void setDampingAlpha( double* theDA ); |
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void setReactionFieldDielectric( double* theDielectric ); |
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void newElectrostaticType( AtomTypeProperties* atp, |