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tsoc
openmm
Commits
7851bad8
"platforms/cpu/include/AlignedArray.h" did not exist on "47e03b07cd37464b93db2c69c2a36932eae60b97"
Commit
7851bad8
authored
Jul 29, 2016
by
Peter Eastman
Browse files
Fixed segfault
parent
823b9a75
Changes
1
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platforms/cpu/src/CpuCustomGBForce.cpp
platforms/cpu/src/CpuCustomGBForce.cpp
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platforms/cpu/src/CpuCustomGBForce.cpp
View file @
7851bad8
...
...
@@ -231,7 +231,7 @@ void CpuCustomGBForce::calculateIxn(int numberOfAtoms, float* posq, RealOpenMM**
}
if
(
hasParamDerivs
)
for
(
int
i
=
0
;
i
<
threads
.
getNumThreads
();
i
++
)
for
(
int
j
=
0
;
j
<
threadData
[
j
]
->
energyParamDerivs
.
size
();
j
++
)
for
(
int
j
=
0
;
j
<
threadData
[
i
]
->
energyParamDerivs
.
size
();
j
++
)
energyParamDerivs
[
j
]
+=
threadData
[
i
]
->
energyParamDerivs
[
j
];
}
...
...
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