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tsoc
openmm
Commits
9e4b043f
Commit
9e4b043f
authored
Sep 16, 2014
by
Christian Schwantes
Browse files
Update AmoebaMultipoleForceImpl.cpp
@rmcgibbo and @mpharrigan convinced me I should have just fixed it myself.
parent
af55cd27
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plugins/amoeba/openmmapi/src/AmoebaMultipoleForceImpl.cpp
plugins/amoeba/openmmapi/src/AmoebaMultipoleForceImpl.cpp
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plugins/amoeba/openmmapi/src/AmoebaMultipoleForceImpl.cpp
View file @
9e4b043f
...
@@ -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
>&
outputMultipoleMo
n
ents
){
void
AmoebaMultipoleForceImpl
::
getSystemMultipoleMoments
(
ContextImpl
&
context
,
std
::
vector
<
double
>&
outputMultipoleMo
m
ents
){
kernel
.
getAs
<
CalcAmoebaMultipoleForceKernel
>
().
getSystemMultipoleMoments
(
context
,
outputMultipoleMo
n
ents
);
kernel
.
getAs
<
CalcAmoebaMultipoleForceKernel
>
().
getSystemMultipoleMoments
(
context
,
outputMultipoleMo
m
ents
);
}
}
void
AmoebaMultipoleForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
void
AmoebaMultipoleForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
...
...
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