Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
tsoc
openmm
Commits
c5c8abd2
Commit
c5c8abd2
authored
Dec 18, 2009
by
Peter Eastman
Browse files
Fixed memory errors reported by Valgrind
parent
3e0925fe
Changes
2
Show whitespace changes
Inline
Side-by-side
Showing
2 changed files
with
5 additions
and
4 deletions
+5
-4
plugins/freeEnergy/platforms/reference/src/gbsa/CpuGBVISoftcore.cpp
...eeEnergy/platforms/reference/src/gbsa/CpuGBVISoftcore.cpp
+1
-1
plugins/freeEnergy/platforms/reference/tests/TestReferenceGBVISoftcoreForce.cpp
...tforms/reference/tests/TestReferenceGBVISoftcoreForce.cpp
+4
-3
No files found.
plugins/freeEnergy/platforms/reference/src/gbsa/CpuGBVISoftcore.cpp
View file @
c5c8abd2
...
...
@@ -68,7 +68,7 @@ CpuGBVISoftcore::~CpuGBVISoftcore( ){
// ---------------------------------------------------------------------------------------
delete
_switchDeriviative
;
delete
[]
_switchDeriviative
;
//if( _gbviParameters != NULL ){
// delete _gbviParameters;
//}
...
...
plugins/freeEnergy/platforms/reference/tests/TestReferenceGBVISoftcoreForce.cpp
View file @
c5c8abd2
...
...
@@ -175,7 +175,8 @@ void testEnergyEthaneSwitchingFunction( int useSwitchingFunction ) {
for
(
int
i
=
0
;
i
<
numParticles
;
i
++
){
system
.
addParticle
(
1.0
);
}
LangevinIntegrator
integrator
(
0
,
0.1
,
0.01
);
LangevinIntegrator
integrator1
(
0
,
0.1
,
0.01
);
LangevinIntegrator
integrator2
(
0
,
0.1
,
0.01
);
double
C_HBondDistance
=
0.1097
;
double
C_CBondDistance
=
0.1504
;
...
...
@@ -280,8 +281,8 @@ void testEnergyEthaneSwitchingFunction( int useSwitchingFunction ) {
system
.
addForce
(
nonbonded
);
Context
referenceContext
(
system
,
integrator
,
referencePlatform
);
Context
context
(
system
,
integrator
,
platform
);
Context
referenceContext
(
system
,
integrator
1
,
referencePlatform
);
Context
context
(
system
,
integrator
2
,
platform
);
vector
<
Vec3
>
positions
(
numParticles
);
positions
[
0
]
=
Vec3
(
0.5480
,
1.7661
,
0.0000
);
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment