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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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16 changed files
with
19 additions
and
19 deletions
+19
-19
plugins/drude/platforms/opencl/src/OpenCLDrudeKernels.cpp
plugins/drude/platforms/opencl/src/OpenCLDrudeKernels.cpp
+1
-1
plugins/drude/platforms/opencl/tests/TestOpenCLDrudeForce.cpp
...ins/drude/platforms/opencl/tests/TestOpenCLDrudeForce.cpp
+1
-1
plugins/drude/platforms/opencl/tests/TestOpenCLDrudeLangevinIntegrator.cpp
...tforms/opencl/tests/TestOpenCLDrudeLangevinIntegrator.cpp
+1
-1
plugins/drude/platforms/opencl/tests/TestOpenCLDrudeSCFIntegrator.cpp
...e/platforms/opencl/tests/TestOpenCLDrudeSCFIntegrator.cpp
+1
-1
plugins/drude/platforms/reference/src/ReferenceDrudeKernels.cpp
...s/drude/platforms/reference/src/ReferenceDrudeKernels.cpp
+3
-3
plugins/drude/platforms/reference/src/ReferenceDrudeKernels.h
...ins/drude/platforms/reference/src/ReferenceDrudeKernels.h
+1
-1
plugins/drude/platforms/reference/tests/TestReferenceDrudeForce.cpp
...ude/platforms/reference/tests/TestReferenceDrudeForce.cpp
+1
-1
plugins/drude/platforms/reference/tests/TestReferenceDrudeLangevinIntegrator.cpp
.../reference/tests/TestReferenceDrudeLangevinIntegrator.cpp
+1
-1
plugins/drude/platforms/reference/tests/TestReferenceDrudeSCFIntegrator.cpp
...forms/reference/tests/TestReferenceDrudeSCFIntegrator.cpp
+1
-1
plugins/rpmd/platforms/cuda/src/CudaRpmdKernels.cpp
plugins/rpmd/platforms/cuda/src/CudaRpmdKernels.cpp
+1
-1
plugins/rpmd/platforms/cuda/tests/TestCudaRpmd.cpp
plugins/rpmd/platforms/cuda/tests/TestCudaRpmd.cpp
+1
-1
plugins/rpmd/platforms/opencl/src/OpenCLRpmdKernels.cpp
plugins/rpmd/platforms/opencl/src/OpenCLRpmdKernels.cpp
+1
-1
plugins/rpmd/platforms/opencl/tests/TestOpenCLRpmd.cpp
plugins/rpmd/platforms/opencl/tests/TestOpenCLRpmd.cpp
+1
-1
plugins/rpmd/platforms/reference/src/ReferenceRpmdKernels.cpp
...ins/rpmd/platforms/reference/src/ReferenceRpmdKernels.cpp
+1
-1
plugins/rpmd/platforms/reference/src/ReferenceRpmdKernels.h
plugins/rpmd/platforms/reference/src/ReferenceRpmdKernels.h
+2
-2
plugins/rpmd/platforms/reference/tests/TestReferenceRpmd.cpp
plugins/rpmd/platforms/reference/tests/TestReferenceRpmd.cpp
+1
-1
No files found.
plugins/drude/platforms/opencl/src/OpenCLDrudeKernels.cpp
View file @
0534520e
...
@@ -36,7 +36,7 @@
...
@@ -36,7 +36,7 @@
#include "OpenCLForceInfo.h"
#include "OpenCLForceInfo.h"
#include "OpenCLIntegrationUtilities.h"
#include "OpenCLIntegrationUtilities.h"
#include "OpenCLKernelSources.h"
#include "OpenCLKernelSources.h"
#include "
../src/SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
#include <set>
#include <set>
using
namespace
OpenMM
;
using
namespace
OpenMM
;
...
...
plugins/drude/platforms/opencl/tests/TestOpenCLDrudeForce.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/opencl/tests/TestOpenCLDrudeLangevinIntegrator.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/opencl/tests/TestOpenCLDrudeSCFIntegrator.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>
...
...
plugins/drude/platforms/reference/src/ReferenceDrudeKernels.cpp
View file @
0534520e
...
@@ -33,9 +33,9 @@
...
@@ -33,9 +33,9 @@
#include "openmm/HarmonicAngleForce.h"
#include "openmm/HarmonicAngleForce.h"
#include "openmm/OpenMMException.h"
#include "openmm/OpenMMException.h"
#include "openmm/internal/ContextImpl.h"
#include "openmm/internal/ContextImpl.h"
#include "
SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "
SimTKReference/
ReferenceCCMAAlgorithm.h"
#include "ReferenceCCMAAlgorithm.h"
#include "
SimTKReference/
ReferenceVirtualSites.h"
#include "ReferenceVirtualSites.h"
#include <set>
#include <set>
using
namespace
OpenMM
;
using
namespace
OpenMM
;
...
...
plugins/drude/platforms/reference/src/ReferenceDrudeKernels.h
View file @
0534520e
...
@@ -34,7 +34,7 @@
...
@@ -34,7 +34,7 @@
#include "ReferencePlatform.h"
#include "ReferencePlatform.h"
#include "openmm/DrudeKernels.h"
#include "openmm/DrudeKernels.h"
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include "lbfgs.h"
#include "lbfgs.h"
#include <utility>
#include <utility>
#include <vector>
#include <vector>
...
...
plugins/drude/platforms/reference/tests/TestReferenceDrudeForce.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/reference/tests/TestReferenceDrudeLangevinIntegrator.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/reference/tests/TestReferenceDrudeSCFIntegrator.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>
...
...
plugins/rpmd/platforms/cuda/src/CudaRpmdKernels.cpp
View file @
0534520e
...
@@ -36,7 +36,7 @@
...
@@ -36,7 +36,7 @@
#include "CudaExpressionUtilities.h"
#include "CudaExpressionUtilities.h"
#include "CudaKernelSources.h"
#include "CudaKernelSources.h"
#include "CudaNonbondedUtilities.h"
#include "CudaNonbondedUtilities.h"
#include "
../src/SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
using
namespace
OpenMM
;
using
namespace
OpenMM
;
using
namespace
std
;
using
namespace
std
;
...
...
plugins/rpmd/platforms/cuda/tests/TestCudaRpmd.cpp
View file @
0534520e
...
@@ -43,7 +43,7 @@
...
@@ -43,7 +43,7 @@
#include "openmm/System.h"
#include "openmm/System.h"
#include "openmm/RPMDIntegrator.h"
#include "openmm/RPMDIntegrator.h"
#include "openmm/VirtualSite.h"
#include "openmm/VirtualSite.h"
#include "
SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
...
...
plugins/rpmd/platforms/opencl/src/OpenCLRpmdKernels.cpp
View file @
0534520e
...
@@ -36,7 +36,7 @@
...
@@ -36,7 +36,7 @@
#include "OpenCLExpressionUtilities.h"
#include "OpenCLExpressionUtilities.h"
#include "OpenCLFFT3D.h"
#include "OpenCLFFT3D.h"
#include "OpenCLNonbondedUtilities.h"
#include "OpenCLNonbondedUtilities.h"
#include "
../src/SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
using
namespace
OpenMM
;
using
namespace
OpenMM
;
using
namespace
std
;
using
namespace
std
;
...
...
plugins/rpmd/platforms/opencl/tests/TestOpenCLRpmd.cpp
View file @
0534520e
...
@@ -43,7 +43,7 @@
...
@@ -43,7 +43,7 @@
#include "openmm/System.h"
#include "openmm/System.h"
#include "openmm/RPMDIntegrator.h"
#include "openmm/RPMDIntegrator.h"
#include "openmm/VirtualSite.h"
#include "openmm/VirtualSite.h"
#include "
SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
...
...
plugins/rpmd/platforms/reference/src/ReferenceRpmdKernels.cpp
View file @
0534520e
...
@@ -32,7 +32,7 @@
...
@@ -32,7 +32,7 @@
#include "ReferenceRpmdKernels.h"
#include "ReferenceRpmdKernels.h"
#include "openmm/OpenMMException.h"
#include "openmm/OpenMMException.h"
#include "openmm/internal/ContextImpl.h"
#include "openmm/internal/ContextImpl.h"
#include "
SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
using
namespace
OpenMM
;
using
namespace
OpenMM
;
using
namespace
std
;
using
namespace
std
;
...
...
plugins/rpmd/platforms/reference/src/ReferenceRpmdKernels.h
View file @
0534520e
...
@@ -34,8 +34,8 @@
...
@@ -34,8 +34,8 @@
#include "ReferencePlatform.h"
#include "ReferencePlatform.h"
#include "openmm/RpmdKernels.h"
#include "openmm/RpmdKernels.h"
#include "
SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include "
SimTKReference/
fftpack.h"
#include "fftpack.h"
namespace
OpenMM
{
namespace
OpenMM
{
...
...
plugins/rpmd/platforms/reference/tests/TestReferenceRpmd.cpp
View file @
0534520e
...
@@ -42,7 +42,7 @@
...
@@ -42,7 +42,7 @@
#include "openmm/System.h"
#include "openmm/System.h"
#include "openmm/RPMDIntegrator.h"
#include "openmm/RPMDIntegrator.h"
#include "openmm/VirtualSite.h"
#include "openmm/VirtualSite.h"
#include "
SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
...
...
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