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tsoc
openmm
Commits
e3b25204
Commit
e3b25204
authored
Jul 15, 2013
by
leeping
Browse files
Merge github.com:leeping/openmm
parents
41e9a095
74415dd9
Changes
295
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20 changed files
with
20 additions
and
20 deletions
+20
-20
platforms/opencl/tests/TestOpenCLRBTorsionForce.cpp
platforms/opencl/tests/TestOpenCLRBTorsionForce.cpp
+1
-1
platforms/opencl/tests/TestOpenCLRandom.cpp
platforms/opencl/tests/TestOpenCLRandom.cpp
+5
-5
platforms/opencl/tests/TestOpenCLSort.cpp
platforms/opencl/tests/TestOpenCLSort.cpp
+4
-4
platforms/opencl/tests/TestOpenCLVariableLangevinIntegrator.cpp
...rms/opencl/tests/TestOpenCLVariableLangevinIntegrator.cpp
+1
-1
platforms/opencl/tests/TestOpenCLVariableVerletIntegrator.cpp
...forms/opencl/tests/TestOpenCLVariableVerletIntegrator.cpp
+1
-1
platforms/opencl/tests/TestOpenCLVerletIntegrator.cpp
platforms/opencl/tests/TestOpenCLVerletIntegrator.cpp
+1
-1
platforms/reference/include/CpuGBVI.h
platforms/reference/include/CpuGBVI.h
+1
-1
platforms/reference/include/CpuObc.h
platforms/reference/include/CpuObc.h
+0
-0
platforms/reference/include/GBVIParameters.h
platforms/reference/include/GBVIParameters.h
+1
-1
platforms/reference/include/ObcParameters.h
platforms/reference/include/ObcParameters.h
+1
-1
platforms/reference/include/RealVec.h
platforms/reference/include/RealVec.h
+0
-0
platforms/reference/include/ReferenceAndersenThermostat.h
platforms/reference/include/ReferenceAndersenThermostat.h
+1
-1
platforms/reference/include/ReferenceAngleBondIxn.h
platforms/reference/include/ReferenceAngleBondIxn.h
+0
-0
platforms/reference/include/ReferenceBondForce.h
platforms/reference/include/ReferenceBondForce.h
+0
-0
platforms/reference/include/ReferenceBondIxn.h
platforms/reference/include/ReferenceBondIxn.h
+0
-0
platforms/reference/include/ReferenceBrownianDynamics.h
platforms/reference/include/ReferenceBrownianDynamics.h
+0
-0
platforms/reference/include/ReferenceCCMAAlgorithm.h
platforms/reference/include/ReferenceCCMAAlgorithm.h
+0
-0
platforms/reference/include/ReferenceCMAPTorsionIxn.h
platforms/reference/include/ReferenceCMAPTorsionIxn.h
+2
-2
platforms/reference/include/ReferenceConstraint.h
platforms/reference/include/ReferenceConstraint.h
+0
-0
platforms/reference/include/ReferenceConstraintAlgorithm.h
platforms/reference/include/ReferenceConstraintAlgorithm.h
+1
-1
No files found.
platforms/opencl/tests/TestOpenCLRBTorsionForce.cpp
View file @
e3b25204
...
@@ -39,7 +39,7 @@
...
@@ -39,7 +39,7 @@
#include "openmm/RBTorsionForce.h"
#include "openmm/RBTorsionForce.h"
#include "openmm/System.h"
#include "openmm/System.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/VerletIntegrator.h"
#include "
../src/SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
...
...
platforms/opencl/tests/TestOpenCLRandom.cpp
View file @
e3b25204
...
@@ -34,14 +34,14 @@
...
@@ -34,14 +34,14 @@
*/
*/
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/internal/AssertionUtilities.h"
#include "
../src/
OpenCLArray.h"
#include "OpenCLArray.h"
#include "
../src/
OpenCLContext.h"
#include "OpenCLContext.h"
#include "
../src/
OpenCLIntegrationUtilities.h"
#include "OpenCLIntegrationUtilities.h"
#include "openmm/System.h"
#include "openmm/System.h"
#include "openmm/Context.h"
#include "openmm/Context.h"
#include "OpenCLPlatform.h"
#include "OpenCLPlatform.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/VerletIntegrator.h"
#include "
../src/SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
#include <iostream>
#include <iostream>
using
namespace
OpenMM
;
using
namespace
OpenMM
;
...
@@ -54,7 +54,7 @@ void testGaussian() {
...
@@ -54,7 +54,7 @@ void testGaussian() {
System
system
;
System
system
;
for
(
int
i
=
0
;
i
<
numAtoms
;
i
++
)
for
(
int
i
=
0
;
i
<
numAtoms
;
i
++
)
system
.
addParticle
(
1.0
);
system
.
addParticle
(
1.0
);
OpenCLPlatform
::
PlatformData
platformData
(
system
,
""
,
""
,
platform
.
getPropertyDefaultValue
(
"OpenCLPrecision"
));
OpenCLPlatform
::
PlatformData
platformData
(
system
,
""
,
""
,
platform
.
getPropertyDefaultValue
(
"OpenCLPrecision"
)
,
"false"
);
OpenCLContext
&
context
=
*
platformData
.
contexts
[
0
];
OpenCLContext
&
context
=
*
platformData
.
contexts
[
0
];
context
.
initialize
();
context
.
initialize
();
context
.
getIntegrationUtilities
().
initRandomNumberGenerator
(
0
);
context
.
getIntegrationUtilities
().
initRandomNumberGenerator
(
0
);
...
...
platforms/opencl/tests/TestOpenCLSort.cpp
View file @
e3b25204
...
@@ -34,9 +34,9 @@
...
@@ -34,9 +34,9 @@
*/
*/
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/internal/AssertionUtilities.h"
#include "
../src/
OpenCLArray.h"
#include "OpenCLArray.h"
#include "
../src/
OpenCLContext.h"
#include "OpenCLContext.h"
#include "
../src/
OpenCLSort.h"
#include "OpenCLSort.h"
#include "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
#include "openmm/System.h"
#include "openmm/System.h"
#include <iostream>
#include <iostream>
...
@@ -64,7 +64,7 @@ void verifySorting(vector<float> array) {
...
@@ -64,7 +64,7 @@ void verifySorting(vector<float> array) {
System
system
;
System
system
;
system
.
addParticle
(
0.0
);
system
.
addParticle
(
0.0
);
OpenCLPlatform
::
PlatformData
platformData
(
system
,
""
,
""
,
platform
.
getPropertyDefaultValue
(
"OpenCLPrecision"
));
OpenCLPlatform
::
PlatformData
platformData
(
system
,
""
,
""
,
platform
.
getPropertyDefaultValue
(
"OpenCLPrecision"
)
,
"false"
);
OpenCLContext
&
context
=
*
platformData
.
contexts
[
0
];
OpenCLContext
&
context
=
*
platformData
.
contexts
[
0
];
context
.
initialize
();
context
.
initialize
();
OpenCLArray
data
(
context
,
array
.
size
(),
sizeof
(
float
),
"sortData"
);
OpenCLArray
data
(
context
,
array
.
size
(),
sizeof
(
float
),
"sortData"
);
...
...
platforms/opencl/tests/TestOpenCLVariableLangevinIntegrator.cpp
View file @
e3b25204
...
@@ -40,7 +40,7 @@
...
@@ -40,7 +40,7 @@
#include "openmm/NonbondedForce.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/System.h"
#include "openmm/VariableLangevinIntegrator.h"
#include "openmm/VariableLangevinIntegrator.h"
#include "
../src/SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
#include "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
...
...
platforms/opencl/tests/TestOpenCLVariableVerletIntegrator.cpp
View file @
e3b25204
...
@@ -40,7 +40,7 @@
...
@@ -40,7 +40,7 @@
#include "openmm/NonbondedForce.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/System.h"
#include "openmm/VariableVerletIntegrator.h"
#include "openmm/VariableVerletIntegrator.h"
#include "
../src/SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
#include "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
...
...
platforms/opencl/tests/TestOpenCLVerletIntegrator.cpp
View file @
e3b25204
...
@@ -40,7 +40,7 @@
...
@@ -40,7 +40,7 @@
#include "openmm/NonbondedForce.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/System.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/VerletIntegrator.h"
#include "
../src/SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
#include "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
...
...
platforms/reference/
src/gbsa
/CpuGBVI.h
→
platforms/reference/
include
/CpuGBVI.h
View file @
e3b25204
...
@@ -27,7 +27,7 @@
...
@@ -27,7 +27,7 @@
#include <vector>
#include <vector>
#include "
../SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include "GBVIParameters.h"
#include "GBVIParameters.h"
// ---------------------------------------------------------------------------------------
// ---------------------------------------------------------------------------------------
...
...
platforms/reference/
src/gbsa
/CpuObc.h
→
platforms/reference/
include
/CpuObc.h
View file @
e3b25204
File moved
platforms/reference/
src/gbsa
/GBVIParameters.h
→
platforms/reference/
include
/GBVIParameters.h
View file @
e3b25204
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __GBVIParameters_H__
#ifndef __GBVIParameters_H__
#define __GBVIParameters_H__
#define __GBVIParameters_H__
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
// ---------------------------------------------------------------------------------------
// ---------------------------------------------------------------------------------------
...
...
platforms/reference/
src/gbsa
/ObcParameters.h
→
platforms/reference/
include
/ObcParameters.h
View file @
e3b25204
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __ObcParameters_H__
#ifndef __ObcParameters_H__
#define __ObcParameters_H__
#define __ObcParameters_H__
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
// ---------------------------------------------------------------------------------------
// ---------------------------------------------------------------------------------------
...
...
platforms/reference/
src/SimTKUtilities
/RealVec.h
→
platforms/reference/
include
/RealVec.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceAndersenThermostat.h
→
platforms/reference/
includ
e/ReferenceAndersenThermostat.h
View file @
e3b25204
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __ReferenceAndersenThermostat_H__
#ifndef __ReferenceAndersenThermostat_H__
#define __ReferenceAndersenThermostat_H__
#define __ReferenceAndersenThermostat_H__
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
// ---------------------------------------------------------------------------------------
...
...
platforms/reference/
src/SimTKReferenc
e/ReferenceAngleBondIxn.h
→
platforms/reference/
includ
e/ReferenceAngleBondIxn.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceBondForce.h
→
platforms/reference/
includ
e/ReferenceBondForce.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceBondIxn.h
→
platforms/reference/
includ
e/ReferenceBondIxn.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceBrownianDynamics.h
→
platforms/reference/
includ
e/ReferenceBrownianDynamics.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceCCMAAlgorithm.h
→
platforms/reference/
includ
e/ReferenceCCMAAlgorithm.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceCMAPTorsionIxn.h
→
platforms/reference/
includ
e/ReferenceCMAPTorsionIxn.h
View file @
e3b25204
...
@@ -25,8 +25,8 @@
...
@@ -25,8 +25,8 @@
#ifndef __ReferenceCMAPTorsionIxn_H__
#ifndef __ReferenceCMAPTorsionIxn_H__
#define __ReferenceCMAPTorsionIxn_H__
#define __ReferenceCMAPTorsionIxn_H__
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceBondIxn.h"
#include "ReferenceBondIxn.h"
#include <vector>
#include <vector>
...
...
platforms/reference/
src/SimTKReferenc
e/ReferenceConstraint.h
→
platforms/reference/
includ
e/ReferenceConstraint.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceConstraintAlgorithm.h
→
platforms/reference/
includ
e/ReferenceConstraintAlgorithm.h
View file @
e3b25204
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __ReferenceConstraintAlgorithm_H__
#ifndef __ReferenceConstraintAlgorithm_H__
#define __ReferenceConstraintAlgorithm_H__
#define __ReferenceConstraintAlgorithm_H__
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "openmm/internal/windowsExport.h"
#include "openmm/internal/windowsExport.h"
/**
/**
...
...
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