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tsoc
openmm
Commits
5bca8d12
Commit
5bca8d12
authored
Apr 16, 2010
by
Peter Eastman
Browse files
Fixed bug when a system involved multiple nonbonded forces (bug 1080)
parent
06a20544
Changes
1
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8 deletions
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-8
platforms/opencl/src/OpenCLNonbondedUtilities.cpp
platforms/opencl/src/OpenCLNonbondedUtilities.cpp
+6
-8
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platforms/opencl/src/OpenCLNonbondedUtilities.cpp
View file @
5bca8d12
...
@@ -90,14 +90,12 @@ void OpenCLNonbondedUtilities::addInteraction(bool usesCutoff, bool usesPeriodic
...
@@ -90,14 +90,12 @@ void OpenCLNonbondedUtilities::addInteraction(bool usesCutoff, bool usesPeriodic
if
(
!
sameExclusions
)
if
(
!
sameExclusions
)
throw
OpenMMException
(
"All Forces must have identical exceptions"
);
throw
OpenMMException
(
"All Forces must have identical exceptions"
);
}
}
else
{
useCutoff
=
usesCutoff
;
useCutoff
=
usesCutoff
;
usePeriodic
=
usesPeriodic
;
usePeriodic
=
usesPeriodic
;
cutoff
=
cutoffDistance
;
cutoff
=
cutoffDistance
;
kernelSource
+=
kernel
+
"
\n
"
;
kernelSource
+=
kernel
+
"
\n
"
;
if
(
usesExclusions
)
if
(
usesExclusions
)
atomExclusions
=
exclusionList
;
atomExclusions
=
exclusionList
;
}
}
}
void
OpenCLNonbondedUtilities
::
addParameter
(
const
ParameterInfo
&
parameter
)
{
void
OpenCLNonbondedUtilities
::
addParameter
(
const
ParameterInfo
&
parameter
)
{
...
...
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