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tsoc
openmm
Commits
05423d24
"plugins/amoeba/vscode:/vscode.git/clone" did not exist on "033eed5ccb0484b31fc01074efd796f8aa2f6aa4"
Commit
05423d24
authored
Feb 28, 2014
by
Robert McGibbon
Browse files
fix bug
parent
8e9f7934
Changes
1
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-1
platforms/cpu/src/CpuSETTLE.cpp
platforms/cpu/src/CpuSETTLE.cpp
+3
-1
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platforms/cpu/src/CpuSETTLE.cpp
View file @
05423d24
...
@@ -41,8 +41,10 @@ public:
...
@@ -41,8 +41,10 @@ public:
inverseMasses
(
inverseMasses
),
tolerance
(
tolerance
),
threadSettle
(
threadSettle
)
{
inverseMasses
(
inverseMasses
),
tolerance
(
tolerance
),
threadSettle
(
threadSettle
)
{
}
}
void
execute
(
ThreadPool
&
threads
,
int
threadIndex
)
{
void
execute
(
ThreadPool
&
threads
,
int
threadIndex
)
{
if
(
threadIndex
<
threadSettle
.
size
())
{
threadSettle
[
threadIndex
]
->
apply
(
atomCoordinates
,
atomCoordinatesP
,
inverseMasses
,
tolerance
);
threadSettle
[
threadIndex
]
->
apply
(
atomCoordinates
,
atomCoordinatesP
,
inverseMasses
,
tolerance
);
}
}
}
vector
<
OpenMM
::
RealVec
>&
atomCoordinates
;
vector
<
OpenMM
::
RealVec
>&
atomCoordinates
;
vector
<
OpenMM
::
RealVec
>&
atomCoordinatesP
;
vector
<
OpenMM
::
RealVec
>&
atomCoordinatesP
;
vector
<
RealOpenMM
>&
inverseMasses
;
vector
<
RealOpenMM
>&
inverseMasses
;
...
...
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