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tsoc
openmm
Commits
6913676a
"wrappers/python/src/vscode:/vscode.git/clone" did not exist on "c692624f52d32f954fc7836bcb55b0cd49de0695"
Commit
6913676a
authored
Nov 04, 2009
by
Peter Eastman
Browse files
Minor optimization
parent
32f5e1d4
Changes
1
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platforms/opencl/src/OpenCLKernels.cpp
platforms/opencl/src/OpenCLKernels.cpp
+2
-1
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platforms/opencl/src/OpenCLKernels.cpp
View file @
6913676a
...
@@ -624,7 +624,8 @@ void OpenCLCalcNonbondedForceKernel::initialize(const System& system, const Nonb
...
@@ -624,7 +624,8 @@ void OpenCLCalcNonbondedForceKernel::initialize(const System& system, const Nonb
string
source
=
cl
.
loadSourceFromFile
(
"coulombLennardJones.cl"
,
defines
);
string
source
=
cl
.
loadSourceFromFile
(
"coulombLennardJones.cl"
,
defines
);
cl
.
getNonbondedUtilities
().
addInteraction
(
useCutoff
,
usePeriodic
,
true
,
force
.
getCutoffDistance
(),
exclusionList
,
source
);
cl
.
getNonbondedUtilities
().
addInteraction
(
useCutoff
,
usePeriodic
,
true
,
force
.
getCutoffDistance
(),
exclusionList
,
source
);
cl
.
getNonbondedUtilities
().
addParameter
(
OpenCLNonbondedUtilities
::
ParameterInfo
(
"sigmaEpsilon"
,
"float2"
,
sizeof
(
cl_float2
),
sigmaEpsilon
->
getDeviceBuffer
()));
if
(
hasLJ
)
cl
.
getNonbondedUtilities
().
addParameter
(
OpenCLNonbondedUtilities
::
ParameterInfo
(
"sigmaEpsilon"
,
"float2"
,
sizeof
(
cl_float2
),
sigmaEpsilon
->
getDeviceBuffer
()));
cutoffSquared
=
force
.
getCutoffDistance
()
*
force
.
getCutoffDistance
();
cutoffSquared
=
force
.
getCutoffDistance
()
*
force
.
getCutoffDistance
();
// Initialize the exceptions.
// Initialize the exceptions.
...
...
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