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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
26 additions
and
21 deletions
+26
-21
platforms/cuda/tests/TestCudaCustomExternalForce.cpp
platforms/cuda/tests/TestCudaCustomExternalForce.cpp
+1
-1
platforms/cuda/tests/TestCudaCustomIntegrator.cpp
platforms/cuda/tests/TestCudaCustomIntegrator.cpp
+1
-1
platforms/cuda/tests/TestCudaEwald.cpp
platforms/cuda/tests/TestCudaEwald.cpp
+1
-1
platforms/cuda/tests/TestCudaGBSAOBCForce.cpp
platforms/cuda/tests/TestCudaGBSAOBCForce.cpp
+1
-1
platforms/cuda/tests/TestCudaHarmonicAngleForce.cpp
platforms/cuda/tests/TestCudaHarmonicAngleForce.cpp
+1
-1
platforms/cuda/tests/TestCudaLangevinIntegrator.cpp
platforms/cuda/tests/TestCudaLangevinIntegrator.cpp
+1
-1
platforms/cuda/tests/TestCudaMonteCarloBarostat.cpp
platforms/cuda/tests/TestCudaMonteCarloBarostat.cpp
+1
-1
platforms/cuda/tests/TestCudaMultipleForces.cpp
platforms/cuda/tests/TestCudaMultipleForces.cpp
+1
-1
platforms/cuda/tests/TestCudaNonbondedForce.cpp
platforms/cuda/tests/TestCudaNonbondedForce.cpp
+1
-1
platforms/cuda/tests/TestCudaPeriodicTorsionForce.cpp
platforms/cuda/tests/TestCudaPeriodicTorsionForce.cpp
+1
-1
platforms/cuda/tests/TestCudaRBTorsionForce.cpp
platforms/cuda/tests/TestCudaRBTorsionForce.cpp
+1
-1
platforms/cuda/tests/TestCudaRandom.cpp
platforms/cuda/tests/TestCudaRandom.cpp
+4
-4
platforms/cuda/tests/TestCudaSort.cpp
platforms/cuda/tests/TestCudaSort.cpp
+3
-3
platforms/cuda/tests/TestCudaVariableLangevinIntegrator.cpp
platforms/cuda/tests/TestCudaVariableLangevinIntegrator.cpp
+1
-1
platforms/cuda/tests/TestCudaVariableVerletIntegrator.cpp
platforms/cuda/tests/TestCudaVariableVerletIntegrator.cpp
+1
-1
platforms/cuda/tests/TestCudaVerletIntegrator.cpp
platforms/cuda/tests/TestCudaVerletIntegrator.cpp
+1
-1
platforms/opencl/CMakeLists.txt
platforms/opencl/CMakeLists.txt
+5
-0
platforms/opencl/include/OpenCLArray.h
platforms/opencl/include/OpenCLArray.h
+0
-0
platforms/opencl/include/OpenCLBondedUtilities.h
platforms/opencl/include/OpenCLBondedUtilities.h
+0
-0
platforms/opencl/include/OpenCLCompact.h
platforms/opencl/include/OpenCLCompact.h
+0
-0
No files found.
platforms/cuda/tests/TestCudaCustomExternalForce.cpp
View file @
0534520e
...
@@ -39,7 +39,7 @@
...
@@ -39,7 +39,7 @@
#include "openmm/CustomExternalForce.h"
#include "openmm/CustomExternalForce.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/cuda/tests/TestCudaCustomIntegrator.cpp
View file @
0534520e
...
@@ -41,7 +41,7 @@
...
@@ -41,7 +41,7 @@
#include "openmm/NonbondedForce.h"
#include "openmm/NonbondedForce.h"
#include "openmm/System.h"
#include "openmm/System.h"
#include "openmm/CustomIntegrator.h"
#include "openmm/CustomIntegrator.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/cuda/tests/TestCudaEwald.cpp
View file @
0534520e
...
@@ -42,7 +42,7 @@
...
@@ -42,7 +42,7 @@
#include "openmm/LangevinIntegrator.h"
#include "openmm/LangevinIntegrator.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/internal/ContextImpl.h"
#include "openmm/internal/ContextImpl.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/cuda/tests/TestCudaGBSAOBCForce.cpp
View file @
0534520e
...
@@ -40,7 +40,7 @@
...
@@ -40,7 +40,7 @@
#include "openmm/GBSAOBCForce.h"
#include "openmm/GBSAOBCForce.h"
#include "openmm/System.h"
#include "openmm/System.h"
#include "openmm/LangevinIntegrator.h"
#include "openmm/LangevinIntegrator.h"
#include "
../src/SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
#include "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
#include "openmm/NonbondedForce.h"
#include "openmm/NonbondedForce.h"
#include <iostream>
#include <iostream>
...
...
platforms/cuda/tests/TestCudaHarmonicAngleForce.cpp
View file @
0534520e
...
@@ -40,7 +40,7 @@
...
@@ -40,7 +40,7 @@
#include "openmm/HarmonicAngleForce.h"
#include "openmm/HarmonicAngleForce.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/cuda/tests/TestCudaLangevinIntegrator.cpp
View file @
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/LangevinIntegrator.h"
#include "openmm/LangevinIntegrator.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/cuda/tests/TestCudaMonteCarloBarostat.cpp
View file @
0534520e
...
@@ -42,7 +42,7 @@
...
@@ -42,7 +42,7 @@
#include "openmm/LangevinIntegrator.h"
#include "openmm/LangevinIntegrator.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/VerletIntegrator.h"
#include "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
#include "
../src/SimTKUtilities/
SimTKOpenMMRealType.h"
#include "SimTKOpenMMRealType.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
...
...
platforms/cuda/tests/TestCudaMultipleForces.cpp
View file @
0534520e
...
@@ -44,7 +44,7 @@
...
@@ -44,7 +44,7 @@
#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 "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
...
...
platforms/cuda/tests/TestCudaNonbondedForce.cpp
View file @
0534520e
...
@@ -45,7 +45,7 @@
...
@@ -45,7 +45,7 @@
#include "openmm/internal/ContextImpl.h"
#include "openmm/internal/ContextImpl.h"
#include "CudaArray.h"
#include "CudaArray.h"
#include "CudaNonbondedUtilities.h"
#include "CudaNonbondedUtilities.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/cuda/tests/TestCudaPeriodicTorsionForce.cpp
View file @
0534520e
...
@@ -39,7 +39,7 @@
...
@@ -39,7 +39,7 @@
#include "openmm/PeriodicTorsionForce.h"
#include "openmm/PeriodicTorsionForce.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/cuda/tests/TestCudaRBTorsionForce.cpp
View file @
0534520e
...
@@ -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/cuda/tests/TestCudaRandom.cpp
View file @
0534520e
...
@@ -34,14 +34,14 @@
...
@@ -34,14 +34,14 @@
*/
*/
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/internal/AssertionUtilities.h"
#include "
../src/
CudaArray.h"
#include "CudaArray.h"
#include "
../src/
CudaContext.h"
#include "CudaContext.h"
#include "
../src/
CudaIntegrationUtilities.h"
#include "CudaIntegrationUtilities.h"
#include "openmm/System.h"
#include "openmm/System.h"
#include "openmm/Context.h"
#include "openmm/Context.h"
#include "CudaPlatform.h"
#include "CudaPlatform.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
;
...
...
platforms/cuda/tests/TestCudaSort.cpp
View file @
0534520e
...
@@ -34,9 +34,9 @@
...
@@ -34,9 +34,9 @@
*/
*/
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/internal/AssertionUtilities.h"
#include "
../src/
CudaArray.h"
#include "CudaArray.h"
#include "
../src/
CudaContext.h"
#include "CudaContext.h"
#include "
../src/
CudaSort.h"
#include "CudaSort.h"
#include "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
#include "openmm/System.h"
#include "openmm/System.h"
#include <iostream>
#include <iostream>
...
...
platforms/cuda/tests/TestCudaVariableLangevinIntegrator.cpp
View file @
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/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/cuda/tests/TestCudaVariableVerletIntegrator.cpp
View file @
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/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/cuda/tests/TestCudaVerletIntegrator.cpp
View file @
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>
...
...
platforms/opencl/CMakeLists.txt
View file @
0534520e
...
@@ -102,4 +102,9 @@ SET(CL_KERNELS_H ${CMAKE_CURRENT_BINARY_DIR}/src/${CL_SOURCE_CLASS}.h)
...
@@ -102,4 +102,9 @@ SET(CL_KERNELS_H ${CMAKE_CURRENT_BINARY_DIR}/src/${CL_SOURCE_CLASS}.h)
SET
(
SOURCE_FILES
${
SOURCE_FILES
}
${
CL_KERNELS_CPP
}
${
CL_KERNELS_H
}
)
SET
(
SOURCE_FILES
${
SOURCE_FILES
}
${
CL_KERNELS_CPP
}
${
CL_KERNELS_H
}
)
INCLUDE_DIRECTORIES
(
BEFORE
${
CMAKE_CURRENT_BINARY_DIR
}
/src
)
INCLUDE_DIRECTORIES
(
BEFORE
${
CMAKE_CURRENT_BINARY_DIR
}
/src
)
# Install headers
FILE
(
GLOB CORE_HEADERS include/*.h
)
INSTALL_FILES
(
/include/openmm/opencl FILES
${
CORE_HEADERS
}
)
SUBDIRS
(
sharedTarget
)
SUBDIRS
(
sharedTarget
)
platforms/opencl/
src
/OpenCLArray.h
→
platforms/opencl/
include
/OpenCLArray.h
View file @
0534520e
File moved
platforms/opencl/
src
/OpenCLBondedUtilities.h
→
platforms/opencl/
include
/OpenCLBondedUtilities.h
View file @
0534520e
File moved
platforms/opencl/
src
/OpenCLCompact.h
→
platforms/opencl/
include
/OpenCLCompact.h
View file @
0534520e
File moved
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