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tsoc
openmm
Commits
5587fac9
Commit
5587fac9
authored
Jul 11, 2013
by
Lee-Ping Wang
Browse files
Merge
https://github.com/SimTk/openmm
parents
7a55f02c
73882ac5
Changes
219
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20 changed files
with
52 additions
and
52 deletions
+52
-52
platforms/reference/src/SimTKReference/ReferenceCustomTorsionIxn.cpp
...eference/src/SimTKReference/ReferenceCustomTorsionIxn.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceDynamics.cpp
platforms/reference/src/SimTKReference/ReferenceDynamics.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceForce.cpp
platforms/reference/src/SimTKReference/ReferenceForce.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceHarmonicBondIxn.cpp
...reference/src/SimTKReference/ReferenceHarmonicBondIxn.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceLJCoulomb14.cpp
...rms/reference/src/SimTKReference/ReferenceLJCoulomb14.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceLJCoulombIxn.cpp
...ms/reference/src/SimTKReference/ReferenceLJCoulombIxn.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceLincsAlgorithm.cpp
.../reference/src/SimTKReference/ReferenceLincsAlgorithm.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceMonteCarloBarostat.cpp
...erence/src/SimTKReference/ReferenceMonteCarloBarostat.cpp
+1
-1
platforms/reference/src/SimTKReference/ReferencePairIxn.cpp
platforms/reference/src/SimTKReference/ReferencePairIxn.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceProperDihedralBond.cpp
...erence/src/SimTKReference/ReferenceProperDihedralBond.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceRbDihedralBond.cpp
.../reference/src/SimTKReference/ReferenceRbDihedralBond.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceShakeAlgorithm.cpp
.../reference/src/SimTKReference/ReferenceShakeAlgorithm.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceStochasticDynamics.cpp
...erence/src/SimTKReference/ReferenceStochasticDynamics.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceVariableStochasticDynamics.cpp
...rc/SimTKReference/ReferenceVariableStochasticDynamics.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceVariableVerletDynamics.cpp
...ce/src/SimTKReference/ReferenceVariableVerletDynamics.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceVerletDynamics.cpp
.../reference/src/SimTKReference/ReferenceVerletDynamics.cpp
+3
-3
platforms/reference/src/gbsa/CpuGBVI.cpp
platforms/reference/src/gbsa/CpuGBVI.cpp
+2
-2
platforms/reference/src/gbsa/CpuObc.cpp
platforms/reference/src/gbsa/CpuObc.cpp
+2
-2
platforms/reference/src/gbsa/GBVIParameters.cpp
platforms/reference/src/gbsa/GBVIParameters.cpp
+1
-1
platforms/reference/src/gbsa/ObcParameters.cpp
platforms/reference/src/gbsa/ObcParameters.cpp
+1
-1
No files found.
platforms/reference/src/SimTKReference/ReferenceCustomTorsionIxn.cpp
View file @
5587fac9
...
...
@@ -24,9 +24,9 @@
#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 "ReferenceCustomTorsionIxn.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceDynamics.cpp
View file @
5587fac9
...
...
@@ -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 "ReferenceDynamics.h"
#include <cstdio>
...
...
platforms/reference/src/SimTKReference/ReferenceForce.cpp
View file @
5587fac9
...
...
@@ -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 "ReferenceForce.h"
#include <cstdio>
...
...
platforms/reference/src/SimTKReference/ReferenceHarmonicBondIxn.cpp
View file @
5587fac9
...
...
@@ -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 "ReferenceHarmonicBondIxn.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceLJCoulomb14.cpp
View file @
5587fac9
...
...
@@ -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 "ReferenceLJCoulomb14.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceLJCoulombIxn.cpp
View file @
5587fac9
...
...
@@ -26,9 +26,9 @@
#include <sstream>
#include <complex>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMCommon.h"
#include "SimTKOpenMMLog.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceLJCoulombIxn.h"
#include "ReferenceForce.h"
#include "PME.h"
...
...
platforms/reference/src/SimTKReference/ReferenceLincsAlgorithm.cpp
View file @
5587fac9
...
...
@@ -24,9 +24,9 @@
#include <string.h>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMCommon.h"
#include "SimTKOpenMMUtilities.h"
#include "SimTKOpenMMLog.h"
#include "ReferenceLincsAlgorithm.h"
#include "ReferenceDynamics.h"
#include "openmm/OpenMMException.h"
...
...
platforms/reference/src/SimTKReference/ReferenceMonteCarloBarostat.cpp
View file @
5587fac9
...
...
@@ -25,7 +25,7 @@
#include <string.h>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceMonteCarloBarostat.h"
using
namespace
std
;
...
...
platforms/reference/src/SimTKReference/ReferencePairIxn.cpp
View file @
5587fac9
...
...
@@ -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 "ReferencePairIxn.h"
...
...
platforms/reference/src/SimTKReference/ReferenceProperDihedralBond.cpp
View file @
5587fac9
...
...
@@ -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 "ReferenceProperDihedralBond.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceRbDihedralBond.cpp
View file @
5587fac9
...
...
@@ -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 "ReferenceRbDihedralBond.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceShakeAlgorithm.cpp
View file @
5587fac9
...
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMCommon.h"
#include "SimTKOpenMMUtilities.h"
#include "SimTKOpenMMLog.h"
#include "ReferenceShakeAlgorithm.h"
#include "ReferenceDynamics.h"
#include "openmm/OpenMMException.h"
...
...
platforms/reference/src/SimTKReference/ReferenceStochasticDynamics.cpp
View file @
5587fac9
...
...
@@ -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 "ReferenceStochasticDynamics.h"
#include "ReferenceVirtualSites.h"
...
...
platforms/reference/src/SimTKReference/ReferenceVariableStochasticDynamics.cpp
View file @
5587fac9
...
...
@@ -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 "ReferenceVariableStochasticDynamics.h"
#include "ReferenceVirtualSites.h"
...
...
platforms/reference/src/SimTKReference/ReferenceVariableVerletDynamics.cpp
View file @
5587fac9
...
...
@@ -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 "ReferenceVariableVerletDynamics.h"
#include "ReferenceVirtualSites.h"
...
...
platforms/reference/src/SimTKReference/ReferenceVerletDynamics.cpp
View file @
5587fac9
...
...
@@ -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 "ReferenceVerletDynamics.h"
#include "ReferenceVirtualSites.h"
...
...
platforms/reference/src/gbsa/CpuGBVI.cpp
View file @
5587fac9
...
...
@@ -26,8 +26,8 @@
#include <sstream>
#include <stdio.h>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "
../SimTKReference/
ReferenceForce.h"
#include "SimTKOpenMMCommon.h"
#include "ReferenceForce.h"
#include "CpuGBVI.h"
using
namespace
std
;
...
...
platforms/reference/src/gbsa/CpuObc.cpp
View file @
5587fac9
...
...
@@ -28,8 +28,8 @@
#include <cmath>
#include <cstdio>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "
../SimTKReference/
ReferenceForce.h"
#include "SimTKOpenMMCommon.h"
#include "ReferenceForce.h"
#include "CpuObc.h"
using
namespace
OpenMM
;
...
...
platforms/reference/src/gbsa/GBVIParameters.cpp
View file @
5587fac9
...
...
@@ -28,7 +28,7 @@
#include "openmm/OpenMMException.h"
#include "GBVIParameters.h"
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
using
std
::
vector
;
using
OpenMM
::
RealVec
;
...
...
platforms/reference/src/gbsa/ObcParameters.cpp
View file @
5587fac9
...
...
@@ -28,7 +28,7 @@
#include "openmm/OpenMMException.h"
#include "ObcParameters.h"
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
using
std
::
vector
;
...
...
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