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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
47 additions
and
47 deletions
+47
-47
platforms/reference/include/ReferenceRbDihedralBond.h
platforms/reference/include/ReferenceRbDihedralBond.h
+0
-0
platforms/reference/include/ReferenceShakeAlgorithm.h
platforms/reference/include/ReferenceShakeAlgorithm.h
+0
-0
platforms/reference/include/ReferenceStochasticDynamics.h
platforms/reference/include/ReferenceStochasticDynamics.h
+0
-0
platforms/reference/include/ReferenceVariableStochasticDynamics.h
...s/reference/include/ReferenceVariableStochasticDynamics.h
+0
-0
platforms/reference/include/ReferenceVariableVerletDynamics.h
...forms/reference/include/ReferenceVariableVerletDynamics.h
+0
-0
platforms/reference/include/ReferenceVerletDynamics.h
platforms/reference/include/ReferenceVerletDynamics.h
+0
-0
platforms/reference/include/ReferenceVirtualSites.h
platforms/reference/include/ReferenceVirtualSites.h
+1
-1
platforms/reference/include/SimTKOpenMMCommon.h
platforms/reference/include/SimTKOpenMMCommon.h
+0
-0
platforms/reference/include/SimTKOpenMMLog.h
platforms/reference/include/SimTKOpenMMLog.h
+0
-0
platforms/reference/include/SimTKOpenMMRealType.h
platforms/reference/include/SimTKOpenMMRealType.h
+0
-0
platforms/reference/include/SimTKOpenMMUtilities.h
platforms/reference/include/SimTKOpenMMUtilities.h
+0
-0
platforms/reference/include/fftpack.h
platforms/reference/include/fftpack.h
+1
-1
platforms/reference/src/ReferenceKernels.cpp
platforms/reference/src/ReferenceKernels.cpp
+29
-29
platforms/reference/src/ReferencePlatform.cpp
platforms/reference/src/ReferencePlatform.cpp
+2
-2
platforms/reference/src/SimTKReference/PME.h
platforms/reference/src/SimTKReference/PME.h
+1
-1
platforms/reference/src/SimTKReference/ReferenceAndersenThermostat.cpp
...erence/src/SimTKReference/ReferenceAndersenThermostat.cpp
+1
-1
platforms/reference/src/SimTKReference/ReferenceAngleBondIxn.cpp
...ms/reference/src/SimTKReference/ReferenceAngleBondIxn.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceBondForce.cpp
...forms/reference/src/SimTKReference/ReferenceBondForce.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceBondIxn.cpp
platforms/reference/src/SimTKReference/ReferenceBondIxn.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceBrownianDynamics.cpp
...eference/src/SimTKReference/ReferenceBrownianDynamics.cpp
+3
-3
No files found.
platforms/reference/
src/SimTKReferenc
e/ReferenceRbDihedralBond.h
→
platforms/reference/
includ
e/ReferenceRbDihedralBond.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceShakeAlgorithm.h
→
platforms/reference/
includ
e/ReferenceShakeAlgorithm.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceStochasticDynamics.h
→
platforms/reference/
includ
e/ReferenceStochasticDynamics.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceVariableStochasticDynamics.h
→
platforms/reference/
includ
e/ReferenceVariableStochasticDynamics.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceVariableVerletDynamics.h
→
platforms/reference/
includ
e/ReferenceVariableVerletDynamics.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceVerletDynamics.h
→
platforms/reference/
includ
e/ReferenceVerletDynamics.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/ReferenceVirtualSites.h
→
platforms/reference/
includ
e/ReferenceVirtualSites.h
View file @
e3b25204
...
...
@@ -33,7 +33,7 @@
#define __ReferenceVirtualSites_H__
#include "openmm/System.h"
#include "
../SimTKUtilities/
RealVec.h"
#include "RealVec.h"
#include <vector>
class
OPENMM_EXPORT
ReferenceVirtualSites
{
...
...
platforms/reference/
src/SimTKUtilities
/SimTKOpenMMCommon.h
→
platforms/reference/
include
/SimTKOpenMMCommon.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKUtilities
/SimTKOpenMMLog.h
→
platforms/reference/
include
/SimTKOpenMMLog.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKUtilities
/SimTKOpenMMRealType.h
→
platforms/reference/
include
/SimTKOpenMMRealType.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKUtilities
/SimTKOpenMMUtilities.h
→
platforms/reference/
include
/SimTKOpenMMUtilities.h
View file @
e3b25204
File moved
platforms/reference/
src/SimTKReferenc
e/fftpack.h
→
platforms/reference/
includ
e/fftpack.h
View file @
e3b25204
...
...
@@ -14,7 +14,7 @@
* drop a line to lindahl@cbr.su.se and let me know about it!
*/
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#ifndef _FFTPACK_H_
#define _FFTPACK_H_
...
...
platforms/reference/src/ReferenceKernels.cpp
View file @
e3b25204
...
...
@@ -30,34 +30,34 @@
* -------------------------------------------------------------------------- */
#include "ReferenceKernels.h"
#include "
gbsa/
CpuObc.h"
#include "
gbsa/
CpuGBVI.h"
#include "
SimTKReference/
ReferenceAndersenThermostat.h"
#include "
SimTKReference/
ReferenceAngleBondIxn.h"
#include "
SimTKReference/
ReferenceBondForce.h"
#include "
SimTKReference/
ReferenceBrownianDynamics.h"
#include "
SimTKReference/
ReferenceCCMAAlgorithm.h"
#include "
SimTKReference/
ReferenceCMAPTorsionIxn.h"
#include "
SimTKReference/
ReferenceCustomAngleIxn.h"
#include "
SimTKReference/
ReferenceCustomBondIxn.h"
#include "
SimTKReference/
ReferenceCustomCompoundBondIxn.h"
#include "
SimTKReference/
ReferenceCustomDynamics.h"
#include "
SimTKReference/
ReferenceCustomExternalIxn.h"
#include "
SimTKReference/
ReferenceCustomGBIxn.h"
#include "
SimTKReference/
ReferenceCustomHbondIxn.h"
#include "
SimTKReference/
ReferenceCustomNonbondedIxn.h"
#include "
SimTKReference/
ReferenceCustomTorsionIxn.h"
#include "
SimTKReference/
ReferenceHarmonicBondIxn.h"
#include "
SimTKReference/
ReferenceLJCoulomb14.h"
#include "
SimTKReference/
ReferenceLJCoulombIxn.h"
#include "
SimTKReference/
ReferenceMonteCarloBarostat.h"
#include "
SimTKReference/
ReferenceProperDihedralBond.h"
#include "
SimTKReference/
ReferenceRbDihedralBond.h"
#include "
SimTKReference/
ReferenceStochasticDynamics.h"
#include "
SimTKReference/
ReferenceVariableStochasticDynamics.h"
#include "
SimTKReference/
ReferenceVariableVerletDynamics.h"
#include "
SimTKReference/
ReferenceVerletDynamics.h"
#include "
SimTKReference/
ReferenceVirtualSites.h"
#include "CpuObc.h"
#include "CpuGBVI.h"
#include "ReferenceAndersenThermostat.h"
#include "ReferenceAngleBondIxn.h"
#include "ReferenceBondForce.h"
#include "ReferenceBrownianDynamics.h"
#include "ReferenceCCMAAlgorithm.h"
#include "ReferenceCMAPTorsionIxn.h"
#include "ReferenceCustomAngleIxn.h"
#include "ReferenceCustomBondIxn.h"
#include "ReferenceCustomCompoundBondIxn.h"
#include "ReferenceCustomDynamics.h"
#include "ReferenceCustomExternalIxn.h"
#include "ReferenceCustomGBIxn.h"
#include "ReferenceCustomHbondIxn.h"
#include "ReferenceCustomNonbondedIxn.h"
#include "ReferenceCustomTorsionIxn.h"
#include "ReferenceHarmonicBondIxn.h"
#include "ReferenceLJCoulomb14.h"
#include "ReferenceLJCoulombIxn.h"
#include "ReferenceMonteCarloBarostat.h"
#include "ReferenceProperDihedralBond.h"
#include "ReferenceRbDihedralBond.h"
#include "ReferenceStochasticDynamics.h"
#include "ReferenceVariableStochasticDynamics.h"
#include "ReferenceVariableVerletDynamics.h"
#include "ReferenceVerletDynamics.h"
#include "ReferenceVirtualSites.h"
#include "openmm/CMMotionRemover.h"
#include "openmm/Context.h"
#include "openmm/System.h"
...
...
@@ -71,7 +71,7 @@
#include "openmm/internal/SplineFitter.h"
#include "openmm/Integrator.h"
#include "openmm/OpenMMException.h"
#include "
SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "lepton/CustomFunction.h"
#include "lepton/Parser.h"
#include "lepton/ParsedExpression.h"
...
...
platforms/reference/src/ReferencePlatform.cpp
View file @
e3b25204
...
...
@@ -33,8 +33,8 @@
#include "ReferenceKernelFactory.h"
#include "ReferenceKernels.h"
#include "openmm/internal/ContextImpl.h"
#include "
SimTKUtilities/
SimTKOpenMMRealType.h"
#include "
SimTKUtilities/
RealVec.h"
#include "SimTKOpenMMRealType.h"
#include "RealVec.h"
#include <vector>
using
namespace
OpenMM
;
...
...
platforms/reference/src/SimTKReference/PME.h
View file @
e3b25204
...
...
@@ -29,7 +29,7 @@
* POSSIBILITY OF SUCH DAMAGE.
*/
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include <vector>
typedef
RealOpenMM
rvec
[
3
];
...
...
platforms/reference/src/SimTKReference/ReferenceAndersenThermostat.cpp
View file @
e3b25204
...
...
@@ -25,7 +25,7 @@
#include <string.h>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceAndersenThermostat.h"
using
std
::
vector
;
...
...
platforms/reference/src/SimTKReference/ReferenceAngleBondIxn.cpp
View file @
e3b25204
...
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMCommon.h"
#include "SimTKOpenMMLog.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceAngleBondIxn.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceBondForce.cpp
View file @
e3b25204
...
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMCommon.h"
#include "SimTKOpenMMLog.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceBondForce.h"
using
std
::
vector
;
...
...
platforms/reference/src/SimTKReference/ReferenceBondIxn.cpp
View file @
e3b25204
...
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMCommon.h"
#include "SimTKOpenMMLog.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceForce.h"
#include "ReferenceBondIxn.h"
...
...
platforms/reference/src/SimTKReference/ReferenceBrownianDynamics.cpp
View file @
e3b25204
...
...
@@ -25,9 +25,9 @@
#include <cstring>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMCommon.h"
#include "SimTKOpenMMLog.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceBrownianDynamics.h"
#include "ReferenceVirtualSites.h"
...
...
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