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tsoc
openmm
Commits
a351c396
Unverified
Commit
a351c396
authored
Jun 24, 2019
by
peastman
Committed by
GitHub
Jun 24, 2019
Browse files
Merge pull request #2328 from peastman/offset
Fixed error applying parameter offsets with CPU platform
parents
d5905f89
35b7189c
Changes
1
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1 changed file
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2 additions
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2 deletions
+2
-2
platforms/cpu/src/CpuKernels.cpp
platforms/cpu/src/CpuKernels.cpp
+2
-2
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platforms/cpu/src/CpuKernels.cpp
View file @
a351c396
...
@@ -722,8 +722,6 @@ void CpuCalcNonbondedForceKernel::copyParametersToContext(ContextImpl& context,
...
@@ -722,8 +722,6 @@ void CpuCalcNonbondedForceKernel::copyParametersToContext(ContextImpl& context,
// Record the values.
// Record the values.
chargePosqIndex
=
data
.
requestPosqIndex
();
ljPosqIndex
=
data
.
requestPosqIndex
();
for
(
int
i
=
0
;
i
<
numParticles
;
++
i
)
for
(
int
i
=
0
;
i
<
numParticles
;
++
i
)
force
.
getParticleParameters
(
i
,
baseParticleParams
[
i
][
0
],
baseParticleParams
[
i
][
1
],
baseParticleParams
[
i
][
2
]);
force
.
getParticleParameters
(
i
,
baseParticleParams
[
i
][
0
],
baseParticleParams
[
i
][
1
],
baseParticleParams
[
i
][
2
]);
for
(
int
i
=
0
;
i
<
num14
;
++
i
)
{
for
(
int
i
=
0
;
i
<
num14
;
++
i
)
{
...
@@ -806,6 +804,8 @@ void CpuCalcNonbondedForceKernel::computeParameters(ContextImpl& context, bool o
...
@@ -806,6 +804,8 @@ void CpuCalcNonbondedForceKernel::computeParameters(ContextImpl& context, bool o
}
}
else
else
ewaldSelfEnergy
=
0.0
;
ewaldSelfEnergy
=
0.0
;
chargePosqIndex
=
data
.
requestPosqIndex
();
ljPosqIndex
=
data
.
requestPosqIndex
();
}
}
// Compute exception parameters.
// Compute exception parameters.
...
...
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