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tsoc
openmm
Commits
5adaa15e
Commit
5adaa15e
authored
Mar 07, 2011
by
Mark Friedrichs
Browse files
Only call kCalculateCMAPTorsionForces() if numTorsions > 0
parent
b66af9aa
Changes
1
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platforms/cuda/src/CudaKernels.cpp
platforms/cuda/src/CudaKernels.cpp
+2
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platforms/cuda/src/CudaKernels.cpp
View file @
5adaa15e
...
@@ -645,6 +645,7 @@ void CudaCalcCMAPTorsionForceKernel::initialize(const System& system, const CMAP
...
@@ -645,6 +645,7 @@ void CudaCalcCMAPTorsionForceKernel::initialize(const System& system, const CMAP
}
}
double
CudaCalcCMAPTorsionForceKernel
::
execute
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
)
{
double
CudaCalcCMAPTorsionForceKernel
::
execute
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
)
{
if
(
numTorsions
)
kCalculateCMAPTorsionForces
(
data
.
gpu
,
*
coefficients
,
*
mapPositions
,
*
torsionIndices
,
*
torsionMaps
);
kCalculateCMAPTorsionForces
(
data
.
gpu
,
*
coefficients
,
*
mapPositions
,
*
torsionIndices
,
*
torsionMaps
);
return
0.0
;
return
0.0
;
}
}
...
...
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