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tsoc
openmm
Commits
0534520e
Commit
0534520e
authored
Jul 08, 2013
by
Peter
Browse files
Merge branch 'headers' of
https://github.com/peastman/openmm
into headers
parents
b8b00973
300758a5
Changes
216
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20 changed files
with
22 additions
and
22 deletions
+22
-22
platforms/reference/tests/TestReferenceVerletIntegrator.cpp
platforms/reference/tests/TestReferenceVerletIntegrator.cpp
+1
-1
plugins/amoeba/platforms/reference/src/AmoebaReferenceKernels.h
...s/amoeba/platforms/reference/src/AmoebaReferenceKernels.h
+2
-2
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceAngleForce.h
.../reference/src/SimTKReference/AmoebaReferenceAngleForce.h
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceBondForce.h
...s/reference/src/SimTKReference/AmoebaReferenceBondForce.h
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceForce.h
...forms/reference/src/SimTKReference/AmoebaReferenceForce.h
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceGeneralizedKirkwoodForce.h
.../SimTKReference/AmoebaReferenceGeneralizedKirkwoodForce.h
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceInPlaneAngleForce.h
...nce/src/SimTKReference/AmoebaReferenceInPlaneAngleForce.h
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.h
...erence/src/SimTKReference/AmoebaReferenceMultipoleForce.h
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceOutOfPlaneBendForce.h
...e/src/SimTKReference/AmoebaReferenceOutOfPlaneBendForce.h
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferencePiTorsionForce.h
...erence/src/SimTKReference/AmoebaReferencePiTorsionForce.h
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceStretchBendForce.h
...ence/src/SimTKReference/AmoebaReferenceStretchBendForce.h
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceTorsionTorsionForce.h
...e/src/SimTKReference/AmoebaReferenceTorsionTorsionForce.h
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceVdwForce.h
...ms/reference/src/SimTKReference/AmoebaReferenceVdwForce.h
+2
-2
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceWcaDispersionForce.h
...ce/src/SimTKReference/AmoebaReferenceWcaDispersionForce.h
+1
-1
plugins/cpupme/src/CpuPmeKernels.cpp
plugins/cpupme/src/CpuPmeKernels.cpp
+1
-1
plugins/cpupme/tests/TestCpuPme.cpp
plugins/cpupme/tests/TestCpuPme.cpp
+1
-1
plugins/drude/platforms/cuda/src/CudaDrudeKernels.cpp
plugins/drude/platforms/cuda/src/CudaDrudeKernels.cpp
+1
-1
plugins/drude/platforms/cuda/tests/TestCudaDrudeForce.cpp
plugins/drude/platforms/cuda/tests/TestCudaDrudeForce.cpp
+1
-1
plugins/drude/platforms/cuda/tests/TestCudaDrudeLangevinIntegrator.cpp
.../platforms/cuda/tests/TestCudaDrudeLangevinIntegrator.cpp
+1
-1
plugins/drude/platforms/cuda/tests/TestCudaDrudeSCFIntegrator.cpp
...drude/platforms/cuda/tests/TestCudaDrudeSCFIntegrator.cpp
+1
-1
No files found.
platforms/reference/tests/TestReferenceVerletIntegrator.cpp
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0534520e
...
@@ -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>
...
...
plugins/amoeba/platforms/reference/src/AmoebaReferenceKernels.h
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0534520e
...
@@ -31,8 +31,8 @@
...
@@ -31,8 +31,8 @@
#include "openmm/amoebaKernels.h"
#include "openmm/amoebaKernels.h"
#include "openmm/AmoebaMultipoleForce.h"
#include "openmm/AmoebaMultipoleForce.h"
#include "AmoebaReferenceMultipoleForce.h"
#include "AmoebaReferenceMultipoleForce.h"
#include "
SimTKReference/
ReferenceNeighborList.h"
#include "ReferenceNeighborList.h"
#include "
SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
namespace
OpenMM
{
namespace
OpenMM
{
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceAngleForce.h
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0534520e
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __AmoebaReferenceAngleForce_H__
#ifndef __AmoebaReferenceAngleForce_H__
#define __AmoebaReferenceAngleForce_H__
#define __AmoebaReferenceAngleForce_H__
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
// ---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceBondForce.h
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0534520e
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __AmoebaReferenceBondForce_H__
#ifndef __AmoebaReferenceBondForce_H__
#define __AmoebaReferenceBondForce_H__
#define __AmoebaReferenceBondForce_H__
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
// ---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceForce.h
View file @
0534520e
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __AmoebaReferenceForce_H__
#ifndef __AmoebaReferenceForce_H__
#define __AmoebaReferenceForce_H__
#define __AmoebaReferenceForce_H__
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include "openmm/Vec3.h"
#include "openmm/Vec3.h"
#include <vector>
#include <vector>
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceGeneralizedKirkwoodForce.h
View file @
0534520e
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __AmoebaReferenceGeneralizedKirkwoodForce_H__
#ifndef __AmoebaReferenceGeneralizedKirkwoodForce_H__
#define __AmoebaReferenceGeneralizedKirkwoodForce_H__
#define __AmoebaReferenceGeneralizedKirkwoodForce_H__
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include <vector>
#include <vector>
using
namespace
OpenMM
;
using
namespace
OpenMM
;
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceInPlaneAngleForce.h
View file @
0534520e
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __AmoebaReferenceInPlaneAngleForce_H__
#ifndef __AmoebaReferenceInPlaneAngleForce_H__
#define __AmoebaReferenceInPlaneAngleForce_H__
#define __AmoebaReferenceInPlaneAngleForce_H__
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
// ---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.h
View file @
0534520e
...
@@ -24,7 +24,7 @@
...
@@ -24,7 +24,7 @@
#ifndef __AmoebaReferenceMultipoleForce_H__
#ifndef __AmoebaReferenceMultipoleForce_H__
#define __AmoebaReferenceMultipoleForce_H__
#define __AmoebaReferenceMultipoleForce_H__
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include "openmm/AmoebaMultipoleForce.h"
#include "openmm/AmoebaMultipoleForce.h"
#include "AmoebaReferenceGeneralizedKirkwoodForce.h"
#include "AmoebaReferenceGeneralizedKirkwoodForce.h"
#include <map>
#include <map>
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceOutOfPlaneBendForce.h
View file @
0534520e
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __AmoebaReferenceOutOfPlaneBendForce_H__
#ifndef __AmoebaReferenceOutOfPlaneBendForce_H__
#define __AmoebaReferenceOutOfPlaneBendForce_H__
#define __AmoebaReferenceOutOfPlaneBendForce_H__
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
// ---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferencePiTorsionForce.h
View file @
0534520e
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __AmoebaReferencePiTorsionForce_H__
#ifndef __AmoebaReferencePiTorsionForce_H__
#define __AmoebaReferencePiTorsionForce_H__
#define __AmoebaReferencePiTorsionForce_H__
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
// ---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceStretchBendForce.h
View file @
0534520e
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __AmoebaReferenceStretchBendForce_H__
#ifndef __AmoebaReferenceStretchBendForce_H__
#define __AmoebaReferenceStretchBendForce_H__
#define __AmoebaReferenceStretchBendForce_H__
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
// ---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceTorsionTorsionForce.h
View file @
0534520e
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __AmoebaReferenceTorsionTorsionForce_H__
#ifndef __AmoebaReferenceTorsionTorsionForce_H__
#define __AmoebaReferenceTorsionTorsionForce_H__
#define __AmoebaReferenceTorsionTorsionForce_H__
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
// ---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceVdwForce.h
View file @
0534520e
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#ifndef __AmoebaReferenceVdwForce_H__
#ifndef __AmoebaReferenceVdwForce_H__
#define __AmoebaReferenceVdwForce_H__
#define __AmoebaReferenceVdwForce_H__
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include "openmm/Vec3.h"
#include "openmm/Vec3.h"
#include "
SimTKReference/
ReferenceNeighborList.h"
#include "ReferenceNeighborList.h"
#include <string>
#include <string>
#include <vector>
#include <vector>
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceWcaDispersionForce.h
View file @
0534520e
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#ifndef __AmoebaReferenceWcaDispersionForce_H__
#ifndef __AmoebaReferenceWcaDispersionForce_H__
#define __AmoebaReferenceWcaDispersionForce_H__
#define __AmoebaReferenceWcaDispersionForce_H__
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include "openmm/Vec3.h"
#include "openmm/Vec3.h"
#include <string>
#include <string>
#include <vector>
#include <vector>
...
...
plugins/cpupme/src/CpuPmeKernels.cpp
View file @
0534520e
...
@@ -33,7 +33,7 @@
...
@@ -33,7 +33,7 @@
#define _USE_MATH_DEFINES // Needed to get M_PI
#define _USE_MATH_DEFINES // Needed to get M_PI
#endif
#endif
#include "CpuPmeKernels.h"
#include "CpuPmeKernels.h"
#include "
../src/SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
#include <cmath>
#include <cmath>
#include <cstring>
#include <cstring>
#include <smmintrin.h>
#include <smmintrin.h>
...
...
plugins/cpupme/tests/TestCpuPme.cpp
View file @
0534520e
...
@@ -41,7 +41,7 @@
...
@@ -41,7 +41,7 @@
#include "openmm/VerletIntegrator.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/internal/ContextImpl.h"
#include "openmm/internal/ContextImpl.h"
#include "../src/CpuPmeKernels.h"
#include "../src/CpuPmeKernels.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>
...
...
plugins/drude/platforms/cuda/src/CudaDrudeKernels.cpp
View file @
0534520e
...
@@ -36,7 +36,7 @@
...
@@ -36,7 +36,7 @@
#include "CudaForceInfo.h"
#include "CudaForceInfo.h"
#include "CudaIntegrationUtilities.h"
#include "CudaIntegrationUtilities.h"
#include "CudaKernelSources.h"
#include "CudaKernelSources.h"
#include "
../src/SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
#include <set>
#include <set>
using
namespace
OpenMM
;
using
namespace
OpenMM
;
...
...
plugins/drude/platforms/cuda/tests/TestCudaDrudeForce.cpp
View file @
0534520e
...
@@ -40,7 +40,7 @@
...
@@ -40,7 +40,7 @@
#include "openmm/System.h"
#include "openmm/System.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/DrudeForce.h"
#include "openmm/DrudeForce.h"
#include "
SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
...
...
plugins/drude/platforms/cuda/tests/TestCudaDrudeLangevinIntegrator.cpp
View file @
0534520e
...
@@ -41,7 +41,7 @@
...
@@ -41,7 +41,7 @@
#include "openmm/VirtualSite.h"
#include "openmm/VirtualSite.h"
#include "openmm/DrudeForce.h"
#include "openmm/DrudeForce.h"
#include "openmm/DrudeLangevinIntegrator.h"
#include "openmm/DrudeLangevinIntegrator.h"
#include "
SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
...
...
plugins/drude/platforms/cuda/tests/TestCudaDrudeSCFIntegrator.cpp
View file @
0534520e
...
@@ -41,7 +41,7 @@
...
@@ -41,7 +41,7 @@
#include "openmm/VirtualSite.h"
#include "openmm/VirtualSite.h"
#include "openmm/DrudeForce.h"
#include "openmm/DrudeForce.h"
#include "openmm/DrudeSCFIntegrator.h"
#include "openmm/DrudeSCFIntegrator.h"
#include "
SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
...
...
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