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tsoc
openmm
Commits
ec8774a0
Commit
ec8774a0
authored
Jul 12, 2011
by
Mark Friedrichs
Browse files
Adding back in CalcAmoebaForcesAndEnergyKernel
parent
5705b8db
Changes
2
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2 changed files
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3 additions
and
2 deletions
+3
-2
plugins/amoeba/platforms/cuda/src/AmoebaCudaKernelFactory.cpp
...ins/amoeba/platforms/cuda/src/AmoebaCudaKernelFactory.cpp
+1
-1
plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp
plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp
+2
-1
No files found.
plugins/amoeba/platforms/cuda/src/AmoebaCudaKernelFactory.cpp
View file @
ec8774a0
...
...
@@ -56,7 +56,7 @@ extern "C" OPENMMCUDA_EXPORT void registerKernelFactories() {
platform
.
registerKernelFactory
(
CalcAmoebaGeneralizedKirkwoodForceKernel
::
Name
(),
factory
);
platform
.
registerKernelFactory
(
CalcAmoebaVdwForceKernel
::
Name
(),
factory
);
platform
.
registerKernelFactory
(
CalcAmoebaWcaDispersionForceKernel
::
Name
(),
factory
);
//
platform.registerKernelFactory(CalcAmoebaForcesAndEnergyKernel::Name(), factory);
platform
.
registerKernelFactory
(
CalcAmoebaForcesAndEnergyKernel
::
Name
(),
factory
);
}
}
}
...
...
plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp
View file @
ec8774a0
...
...
@@ -76,8 +76,9 @@ void CalcAmoebaForcesAndEnergyKernel::beginComputation(ContextImpl& context, boo
if
(
includeForces
&&
data
.
getHasAmoebaGeneralizedKirkwood
()
){
gpu
->
bIncludeGBSA
=
1
;
}
cudaCalcForcesAndEnergyKernel
->
beginComputation
(
context
,
includeForces
,
includeEnergy
);
cudaCalcForcesAndEnergyKernel
->
beginComputation
(
context
,
1
,
includeEnergy
);
gpu
->
bIncludeGBSA
=
originalIncludeGBSA
;
}
double
CalcAmoebaForcesAndEnergyKernel
::
finishComputation
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
)
{
...
...
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