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tsoc
openmm
Commits
3c100e69
Commit
3c100e69
authored
Oct 29, 2008
by
Peter Eastman
Browse files
Renamed GBSAOBCForceField to GBSAOBCForce.
parent
1b2ebaf0
Changes
21
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1 changed file
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4 additions
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4 deletions
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-4
platforms/reference/tests/TestReferenceGBSAOBCForce.cpp
platforms/reference/tests/TestReferenceGBSAOBCForce.cpp
+4
-4
No files found.
platforms/reference/tests/TestReferenceGBSAOBCForce
Field
.cpp
→
platforms/reference/tests/TestReferenceGBSAOBCForce.cpp
View file @
3c100e69
...
@@ -30,13 +30,13 @@
...
@@ -30,13 +30,13 @@
* -------------------------------------------------------------------------- */
* -------------------------------------------------------------------------- */
/**
/**
* This tests the reference implementation of GBSAOBCForce
Field
.
* This tests the reference implementation of GBSAOBCForce.
*/
*/
#include "../../../tests/AssertionUtilities.h"
#include "../../../tests/AssertionUtilities.h"
#include "OpenMMContext.h"
#include "OpenMMContext.h"
#include "ReferencePlatform.h"
#include "ReferencePlatform.h"
#include "GBSAOBCForce
Field
.h"
#include "GBSAOBCForce.h"
#include "System.h"
#include "System.h"
#include "LangevinIntegrator.h"
#include "LangevinIntegrator.h"
#include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
#include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
...
@@ -54,7 +54,7 @@ void testSingleParticle() {
...
@@ -54,7 +54,7 @@ void testSingleParticle() {
System
system
(
1
,
0
);
System
system
(
1
,
0
);
system
.
setParticleMass
(
0
,
2.0
);
system
.
setParticleMass
(
0
,
2.0
);
LangevinIntegrator
integrator
(
0
,
0.1
,
0.01
);
LangevinIntegrator
integrator
(
0
,
0.1
,
0.01
);
GBSAOBCForce
Field
*
forceField
=
new
GBSAOBCForce
Field
(
1
);
GBSAOBCForce
*
forceField
=
new
GBSAOBCForce
(
1
);
forceField
->
setParticleParameters
(
0
,
0.5
,
0.15
,
1
);
forceField
->
setParticleParameters
(
0
,
0.5
,
0.15
,
1
);
system
.
addForce
(
forceField
);
system
.
addForce
(
forceField
);
OpenMMContext
context
(
system
,
integrator
,
platform
);
OpenMMContext
context
(
system
,
integrator
,
platform
);
...
@@ -75,7 +75,7 @@ void testForce() {
...
@@ -75,7 +75,7 @@ void testForce() {
const
int
numParticles
=
10
;
const
int
numParticles
=
10
;
System
system
(
numParticles
,
0
);
System
system
(
numParticles
,
0
);
LangevinIntegrator
integrator
(
0
,
0.1
,
0.01
);
LangevinIntegrator
integrator
(
0
,
0.1
,
0.01
);
GBSAOBCForce
Field
*
forceField
=
new
GBSAOBCForce
Field
(
numParticles
);
GBSAOBCForce
*
forceField
=
new
GBSAOBCForce
(
numParticles
);
for
(
int
i
=
0
;
i
<
numParticles
;
++
i
)
for
(
int
i
=
0
;
i
<
numParticles
;
++
i
)
forceField
->
setParticleParameters
(
i
,
i
%
2
==
0
?
-
1
:
1
,
0.15
,
1
);
forceField
->
setParticleParameters
(
i
,
i
%
2
==
0
?
-
1
:
1
,
0.15
,
1
);
system
.
addForce
(
forceField
);
system
.
addForce
(
forceField
);
...
...
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