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tsoc
openmm
Commits
729bcde9
Commit
729bcde9
authored
May 22, 2010
by
Peter Eastman
Browse files
Fixed some compilation warnings
parent
117436ed
Changes
3
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3 changed files
with
5 additions
and
4 deletions
+5
-4
platforms/opencl/src/OpenCLIntegrationUtilities.cpp
platforms/opencl/src/OpenCLIntegrationUtilities.cpp
+1
-1
platforms/reference/src/ReferencePlatform.cpp
platforms/reference/src/ReferencePlatform.cpp
+1
-0
platforms/reference/src/SimTKReference/ReferenceMonteCarloBarostat.cpp
...erence/src/SimTKReference/ReferenceMonteCarloBarostat.cpp
+3
-3
No files found.
platforms/opencl/src/OpenCLIntegrationUtilities.cpp
View file @
729bcde9
...
@@ -85,7 +85,7 @@ struct OpenCLIntegrationUtilities::ConstraintOrderer : public binary_function<in
...
@@ -85,7 +85,7 @@ struct OpenCLIntegrationUtilities::ConstraintOrderer : public binary_function<in
OpenCLIntegrationUtilities
::
OpenCLIntegrationUtilities
(
OpenCLContext
&
context
,
const
System
&
system
)
:
context
(
context
),
OpenCLIntegrationUtilities
::
OpenCLIntegrationUtilities
(
OpenCLContext
&
context
,
const
System
&
system
)
:
context
(
context
),
posDelta
(
NULL
),
settleAtoms
(
NULL
),
settleParams
(
NULL
),
shakeAtoms
(
NULL
),
shakeParams
(
NULL
),
posDelta
(
NULL
),
settleAtoms
(
NULL
),
settleParams
(
NULL
),
shakeAtoms
(
NULL
),
shakeParams
(
NULL
),
random
(
NULL
),
randomSeed
(
NULL
),
randomPos
(
NULL
),
stepSize
(
NULL
),
ccmaAtoms
(
NULL
),
ccmaDistance
(
NULL
),
random
(
NULL
),
randomSeed
(
NULL
),
randomPos
(
0
),
stepSize
(
NULL
),
ccmaAtoms
(
NULL
),
ccmaDistance
(
NULL
),
ccmaReducedMass
(
NULL
),
ccmaAtomConstraints
(
NULL
),
ccmaNumAtomConstraints
(
NULL
),
ccmaConstraintMatrixColumn
(
NULL
),
ccmaReducedMass
(
NULL
),
ccmaAtomConstraints
(
NULL
),
ccmaNumAtomConstraints
(
NULL
),
ccmaConstraintMatrixColumn
(
NULL
),
ccmaConstraintMatrixValue
(
NULL
),
ccmaDelta1
(
NULL
),
ccmaDelta2
(
NULL
),
ccmaConverged
(
NULL
),
ccmaConstraintMatrixValue
(
NULL
),
ccmaDelta1
(
NULL
),
ccmaDelta2
(
NULL
),
ccmaConverged
(
NULL
),
hasInitializedConstraintKernels
(
false
)
{
hasInitializedConstraintKernels
(
false
)
{
...
...
platforms/reference/src/ReferencePlatform.cpp
View file @
729bcde9
...
@@ -99,6 +99,7 @@ ReferencePlatform::PlatformData::~PlatformData() {
...
@@ -99,6 +99,7 @@ ReferencePlatform::PlatformData::~PlatformData() {
RealOpenMM
**
positions
=
(
RealOpenMM
**
)
this
->
positions
;
RealOpenMM
**
positions
=
(
RealOpenMM
**
)
this
->
positions
;
RealOpenMM
**
velocities
=
(
RealOpenMM
**
)
this
->
velocities
;
RealOpenMM
**
velocities
=
(
RealOpenMM
**
)
this
->
velocities
;
RealOpenMM
**
forces
=
(
RealOpenMM
**
)
this
->
forces
;
RealOpenMM
**
forces
=
(
RealOpenMM
**
)
this
->
forces
;
RealOpenMM
*
periodicBoxSize
=
(
RealOpenMM
*
)
this
->
periodicBoxSize
;
for
(
int
i
=
0
;
i
<
numParticles
;
++
i
)
{
for
(
int
i
=
0
;
i
<
numParticles
;
++
i
)
{
delete
[]
positions
[
i
];
delete
[]
positions
[
i
];
delete
[]
velocities
[
i
];
delete
[]
velocities
[
i
];
...
...
platforms/reference/src/SimTKReference/ReferenceMonteCarloBarostat.cpp
View file @
729bcde9
...
@@ -88,9 +88,9 @@ void ReferenceMonteCarloBarostat::applyBarostat(RealOpenMM** atomPositions, Real
...
@@ -88,9 +88,9 @@ void ReferenceMonteCarloBarostat::applyBarostat(RealOpenMM** atomPositions, Real
int
xcell
=
(
int
)
floor
(
pos
[
0
]
/
boxSize
[
0
]);
int
xcell
=
(
int
)
floor
(
pos
[
0
]
/
boxSize
[
0
]);
int
ycell
=
(
int
)
floor
(
pos
[
1
]
/
boxSize
[
1
]);
int
ycell
=
(
int
)
floor
(
pos
[
1
]
/
boxSize
[
1
]);
int
zcell
=
(
int
)
floor
(
pos
[
2
]
/
boxSize
[
2
]);
int
zcell
=
(
int
)
floor
(
pos
[
2
]
/
boxSize
[
2
]);
float
dx
=
xcell
*
boxSize
[
0
];
RealOpenMM
dx
=
xcell
*
boxSize
[
0
];
float
dy
=
ycell
*
boxSize
[
1
];
RealOpenMM
dy
=
ycell
*
boxSize
[
1
];
float
dz
=
zcell
*
boxSize
[
2
];
RealOpenMM
dz
=
zcell
*
boxSize
[
2
];
pos
[
0
]
-=
dx
;
pos
[
0
]
-=
dx
;
pos
[
1
]
-=
dy
;
pos
[
1
]
-=
dy
;
pos
[
2
]
-=
dz
;
pos
[
2
]
-=
dz
;
...
...
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