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tsoc
openmm
Commits
dfe03fe9
Commit
dfe03fe9
authored
Jun 11, 2008
by
Christopher Bruns
Browse files
Prevent lots of memory allocation crashes on linux for the openmmapi test programs
parent
77866475
Changes
5
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5 changed files
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5 additions
and
5 deletions
+5
-5
openmmapi/include/StandardMMForceField.h
openmmapi/include/StandardMMForceField.h
+1
-1
platforms/reference/src/ReferenceFloatStreamImpl.cpp
platforms/reference/src/ReferenceFloatStreamImpl.cpp
+1
-1
platforms/reference/src/ReferenceKernels.cpp
platforms/reference/src/ReferenceKernels.cpp
+1
-1
platforms/reference/src/SimTKReference/ReferenceLJCoulombIxn.h
...orms/reference/src/SimTKReference/ReferenceLJCoulombIxn.h
+1
-1
platforms/reference/src/gbsa/CpuImplicitSolvent.h
platforms/reference/src/gbsa/CpuImplicitSolvent.h
+1
-1
No files found.
openmmapi/include/StandardMMForceField.h
View file @
dfe03fe9
...
...
@@ -255,7 +255,7 @@ public:
class
StandardMMForceField
::
RBTorsionInfo
{
public:
int
atom1
,
atom2
,
atom3
,
atom4
;
double
c
[
5
];
double
c
[
6
];
RBTorsionInfo
()
{
atom1
=
atom2
=
atom3
=
atom4
=
-
1
;
c
[
0
]
=
c
[
1
]
=
c
[
2
]
=
c
[
3
]
=
c
[
4
]
=
c
[
5
]
=
0.0
;
...
...
platforms/reference/src/ReferenceFloatStreamImpl.cpp
View file @
dfe03fe9
...
...
@@ -72,7 +72,7 @@ ReferenceFloatStreamImpl::ReferenceFloatStreamImpl(std::string name, int size, S
}
ReferenceFloatStreamImpl
::~
ReferenceFloatStreamImpl
()
{
delete
data
;
delete
[]
data
;
}
void
ReferenceFloatStreamImpl
::
loadFromArray
(
const
void
*
array
)
{
...
...
platforms/reference/src/ReferenceKernels.cpp
View file @
dfe03fe9
...
...
@@ -215,7 +215,7 @@ double ReferenceCalcStandardMMForceFieldKernel::executeEnergy(const Stream& posi
ReferenceCalcGBSAOBCForceFieldKernel
::~
ReferenceCalcGBSAOBCForceFieldKernel
()
{
if
(
obc
)
{
delete
obc
->
getObcParameters
();
//
delete obc->getObcParameters();
delete
obc
;
}
}
...
...
platforms/reference/src/SimTKReference/ReferenceLJCoulombIxn.h
View file @
dfe03fe9
...
...
@@ -64,7 +64,7 @@ class ReferenceLJCoulombIxn : public ReferencePairIxn {
@param c6 c6
@param c12 c12
@param q1 q1 charge atom
@param epsfacSqrt epsfacSqrt
????????????/
@param epsfacSqrt epsfacSqrt
(what is this?)
@param parameters output parameters:
parameter[SigIndex] = sqrt(c6*c6/c12)
parameter[EpsIndex] = 0.5*( (c12/c6)**1/6 )
...
...
platforms/reference/src/gbsa/CpuImplicitSolvent.h
View file @
dfe03fe9
...
...
@@ -152,7 +152,7 @@ class CpuImplicitSolvent {
--------------------------------------------------------------------------------------- */
~
CpuImplicitSolvent
(
);
~
CpuImplicitSolvent
(
);
// override of new/delete -- used when run in PS3 framework(?)
...
...
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