Commit e3b25204 authored by leeping's avatar leeping
Browse files

Merge github.com:leeping/openmm

parents 41e9a095 74415dd9
...@@ -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>
......
...@@ -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);
......
...@@ -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");
......
...@@ -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>
......
...@@ -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>
......
...@@ -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>
......
...@@ -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"
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
......
...@@ -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"
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
......
...@@ -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"
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
......
...@@ -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>
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
......
...@@ -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>
......
...@@ -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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