Commit 3e7860e1 authored by peastman's avatar peastman
Browse files

Merge pull request #619 from schwancr/patch-1

Update AmoebaMultipoleForceImpl.cpp
parents af55cd27 b9b55b04
...@@ -330,7 +330,7 @@ public: ...@@ -330,7 +330,7 @@ public:
* the quadrupole moment is still undefined and should be ignored. * the quadrupole moment is still undefined and should be ignored.
* *
* @param context context * @param context context
* @param outputMultipoleMonents (charge, * @param outputMultipoleMoments (charge,
dipole_x, dipole_y, dipole_z, dipole_x, dipole_y, dipole_z,
quadrupole_xx, quadrupole_xy, quadrupole_xz, quadrupole_xx, quadrupole_xy, quadrupole_xz,
quadrupole_yx, quadrupole_yy, quadrupole_yz, quadrupole_yx, quadrupole_yy, quadrupole_yz,
......
...@@ -353,7 +353,7 @@ public: ...@@ -353,7 +353,7 @@ public:
virtual void getElectrostaticPotential( ContextImpl& context, const std::vector< Vec3 >& inputGrid, virtual void getElectrostaticPotential( ContextImpl& context, const std::vector< Vec3 >& inputGrid,
std::vector< double >& outputElectrostaticPotential ) = 0; std::vector< double >& outputElectrostaticPotential ) = 0;
virtual void getSystemMultipoleMoments( ContextImpl& context, std::vector< double >& outputMultipoleMonents ) = 0; virtual void getSystemMultipoleMoments( ContextImpl& context, std::vector< double >& outputMultipoleMoments ) = 0;
/** /**
* Copy changed parameters over to a context. * Copy changed parameters over to a context.
* *
......
...@@ -87,7 +87,7 @@ public: ...@@ -87,7 +87,7 @@ public:
void getElectrostaticPotential( ContextImpl& context, const std::vector< Vec3 >& inputGrid, void getElectrostaticPotential( ContextImpl& context, const std::vector< Vec3 >& inputGrid,
std::vector< double >& outputElectrostaticPotential ); std::vector< double >& outputElectrostaticPotential );
void getSystemMultipoleMoments( ContextImpl& context, std::vector< double >& outputMultipoleMonents ); void getSystemMultipoleMoments( ContextImpl& context, std::vector< double >& outputMultipoleMoments );
void updateParametersInContext(ContextImpl& context); void updateParametersInContext(ContextImpl& context);
......
...@@ -234,8 +234,8 @@ void AmoebaMultipoleForce::getElectrostaticPotential( const std::vector< Vec3 >& ...@@ -234,8 +234,8 @@ void AmoebaMultipoleForce::getElectrostaticPotential( const std::vector< Vec3 >&
dynamic_cast<AmoebaMultipoleForceImpl&>(getImplInContext(context)).getElectrostaticPotential(getContextImpl(context), inputGrid, outputElectrostaticPotential); dynamic_cast<AmoebaMultipoleForceImpl&>(getImplInContext(context)).getElectrostaticPotential(getContextImpl(context), inputGrid, outputElectrostaticPotential);
} }
void AmoebaMultipoleForce::getSystemMultipoleMoments(Context& context, std::vector< double >& outputMultipoleMonents ){ void AmoebaMultipoleForce::getSystemMultipoleMoments(Context& context, std::vector< double >& outputMultipoleMoments ){
dynamic_cast<AmoebaMultipoleForceImpl&>(getImplInContext(context)).getSystemMultipoleMoments(getContextImpl(context), outputMultipoleMonents); dynamic_cast<AmoebaMultipoleForceImpl&>(getImplInContext(context)).getSystemMultipoleMoments(getContextImpl(context), outputMultipoleMoments);
} }
ForceImpl* AmoebaMultipoleForce::createImpl() const { ForceImpl* AmoebaMultipoleForce::createImpl() const {
......
...@@ -192,8 +192,8 @@ void AmoebaMultipoleForceImpl::getElectrostaticPotential( ContextImpl& context, ...@@ -192,8 +192,8 @@ void AmoebaMultipoleForceImpl::getElectrostaticPotential( ContextImpl& context,
kernel.getAs<CalcAmoebaMultipoleForceKernel>().getElectrostaticPotential(context, inputGrid, outputElectrostaticPotential); kernel.getAs<CalcAmoebaMultipoleForceKernel>().getElectrostaticPotential(context, inputGrid, outputElectrostaticPotential);
} }
void AmoebaMultipoleForceImpl::getSystemMultipoleMoments( ContextImpl& context, std::vector< double >& outputMultipoleMonents ){ void AmoebaMultipoleForceImpl::getSystemMultipoleMoments( ContextImpl& context, std::vector< double >& outputMultipoleMoments ){
kernel.getAs<CalcAmoebaMultipoleForceKernel>().getSystemMultipoleMoments(context, outputMultipoleMonents); kernel.getAs<CalcAmoebaMultipoleForceKernel>().getSystemMultipoleMoments(context, outputMultipoleMoments);
} }
void AmoebaMultipoleForceImpl::updateParametersInContext(ContextImpl& context) { void AmoebaMultipoleForceImpl::updateParametersInContext(ContextImpl& context) {
......
...@@ -387,7 +387,7 @@ public: ...@@ -387,7 +387,7 @@ public:
* Get the system multipole moments. * Get the system multipole moments.
* *
* @param context context * @param context context
* @param outputMultipoleMonents vector of multipole moments: * @param outputMultipoleMoments vector of multipole moments:
(charge, (charge,
dipole_x, dipole_y, dipole_z, dipole_x, dipole_y, dipole_z,
quadrupole_xx, quadrupole_xy, quadrupole_xz, quadrupole_xx, quadrupole_xy, quadrupole_xz,
......
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