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tsoc
openmm
Commits
3f315a11
Commit
3f315a11
authored
Jan 12, 2010
by
Peter Eastman
Browse files
Throw an exception if the user tries to use PME on OpenCL
parent
6ccf6169
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platforms/opencl/src/OpenCLKernels.cpp
platforms/opencl/src/OpenCLKernels.cpp
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platforms/opencl/src/OpenCLKernels.cpp
View file @
3f315a11
...
...
@@ -780,6 +780,8 @@ void OpenCLCalcNonbondedForceKernel::initialize(const System& system, const Nonb
ewaldForcesKernel
=
cl
::
Kernel
(
program
,
"calculateEwaldForces"
);
cosSinSums
=
new
OpenCLArray
<
mm_float2
>
(
cl
,
(
2
*
kmaxx
-
1
)
*
(
2
*
kmaxy
-
1
)
*
(
2
*
kmaxz
-
1
),
"cosSinSums"
);
}
else
if
(
force
.
getNonbondedMethod
()
==
NonbondedForce
::
PME
)
throw
OpenMMException
(
"OpenMMPlatform does not yet support PME"
);
else
ewaldSelfEnergy
=
0.0
;
...
...
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