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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
58 additions
and
58 deletions
+58
-58
platforms/reference/src/SimTKReference/ReferenceCCMAAlgorithm.cpp
...s/reference/src/SimTKReference/ReferenceCCMAAlgorithm.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceConstraint.cpp
...orms/reference/src/SimTKReference/ReferenceConstraint.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceCustomAngleIxn.cpp
.../reference/src/SimTKReference/ReferenceCustomAngleIxn.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceCustomBondIxn.cpp
...s/reference/src/SimTKReference/ReferenceCustomBondIxn.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceCustomCompoundBondIxn.cpp
...nce/src/SimTKReference/ReferenceCustomCompoundBondIxn.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceCustomDynamics.cpp
.../reference/src/SimTKReference/ReferenceCustomDynamics.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceCustomExternalIxn.cpp
...ference/src/SimTKReference/ReferenceCustomExternalIxn.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceCustomGBIxn.cpp
...rms/reference/src/SimTKReference/ReferenceCustomGBIxn.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceCustomHbondIxn.cpp
.../reference/src/SimTKReference/ReferenceCustomHbondIxn.cpp
+3
-3
platforms/reference/src/SimTKReference/ReferenceCustomNonbondedIxn.cpp
...erence/src/SimTKReference/ReferenceCustomNonbondedIxn.cpp
+3
-3
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
No files found.
platforms/reference/src/SimTKReference/ReferenceCCMAAlgorithm.cpp
View file @
e3b25204
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "ReferenceCCMAAlgorithm.h"
#include "ReferenceCCMAAlgorithm.h"
#include "ReferenceDynamics.h"
#include "ReferenceDynamics.h"
#include "quern.h"
#include "quern.h"
...
...
platforms/reference/src/SimTKReference/ReferenceConstraint.cpp
View file @
e3b25204
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceConstraint.h"
#include "ReferenceConstraint.h"
#include "ReferenceDynamics.h"
#include "ReferenceDynamics.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomAngleIxn.cpp
View file @
e3b25204
...
@@ -24,9 +24,9 @@
...
@@ -24,9 +24,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceCustomAngleIxn.h"
#include "ReferenceCustomAngleIxn.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomBondIxn.cpp
View file @
e3b25204
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceCustomBondIxn.h"
#include "ReferenceCustomBondIxn.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomCompoundBondIxn.cpp
View file @
e3b25204
...
@@ -26,9 +26,9 @@
...
@@ -26,9 +26,9 @@
#include <sstream>
#include <sstream>
#include <utility>
#include <utility>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
#include "ReferenceCustomCompoundBondIxn.h"
#include "ReferenceCustomCompoundBondIxn.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomDynamics.cpp
View file @
e3b25204
...
@@ -22,9 +22,9 @@
...
@@ -22,9 +22,9 @@
* WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
* WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
*/
*/
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceVirtualSites.h"
#include "ReferenceVirtualSites.h"
#include "ReferenceCustomDynamics.h"
#include "ReferenceCustomDynamics.h"
#include "openmm/OpenMMException.h"
#include "openmm/OpenMMException.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomExternalIxn.cpp
View file @
e3b25204
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceCustomExternalIxn.h"
#include "ReferenceCustomExternalIxn.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomGBIxn.cpp
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e3b25204
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
#include "ReferenceCustomGBIxn.h"
#include "ReferenceCustomGBIxn.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomHbondIxn.cpp
View file @
e3b25204
...
@@ -26,9 +26,9 @@
...
@@ -26,9 +26,9 @@
#include <sstream>
#include <sstream>
#include <utility>
#include <utility>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
#include "ReferenceCustomHbondIxn.h"
#include "ReferenceCustomHbondIxn.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomNonbondedIxn.cpp
View file @
e3b25204
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
#include "ReferenceCustomNonbondedIxn.h"
#include "ReferenceCustomNonbondedIxn.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomTorsionIxn.cpp
View file @
e3b25204
...
@@ -24,9 +24,9 @@
...
@@ -24,9 +24,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceCustomTorsionIxn.h"
#include "ReferenceCustomTorsionIxn.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceDynamics.cpp
View file @
e3b25204
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#include <cstring>
#include <cstring>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceDynamics.h"
#include "ReferenceDynamics.h"
#include <cstdio>
#include <cstdio>
...
...
platforms/reference/src/SimTKReference/ReferenceForce.cpp
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e3b25204
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#include <cstring>
#include <cstring>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
#include <cstdio>
#include <cstdio>
...
...
platforms/reference/src/SimTKReference/ReferenceHarmonicBondIxn.cpp
View file @
e3b25204
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceHarmonicBondIxn.h"
#include "ReferenceHarmonicBondIxn.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceLJCoulomb14.cpp
View file @
e3b25204
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceLJCoulomb14.h"
#include "ReferenceLJCoulomb14.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceLJCoulombIxn.cpp
View file @
e3b25204
...
@@ -26,9 +26,9 @@
...
@@ -26,9 +26,9 @@
#include <sstream>
#include <sstream>
#include <complex>
#include <complex>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceLJCoulombIxn.h"
#include "ReferenceLJCoulombIxn.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
#include "PME.h"
#include "PME.h"
...
...
platforms/reference/src/SimTKReference/ReferenceLincsAlgorithm.cpp
View file @
e3b25204
...
@@ -24,9 +24,9 @@
...
@@ -24,9 +24,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "ReferenceLincsAlgorithm.h"
#include "ReferenceLincsAlgorithm.h"
#include "ReferenceDynamics.h"
#include "ReferenceDynamics.h"
#include "openmm/OpenMMException.h"
#include "openmm/OpenMMException.h"
...
...
platforms/reference/src/SimTKReference/ReferenceMonteCarloBarostat.cpp
View file @
e3b25204
...
@@ -25,7 +25,7 @@
...
@@ -25,7 +25,7 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceMonteCarloBarostat.h"
#include "ReferenceMonteCarloBarostat.h"
using
namespace
std
;
using
namespace
std
;
...
...
platforms/reference/src/SimTKReference/ReferencePairIxn.cpp
View file @
e3b25204
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
#include "ReferencePairIxn.h"
#include "ReferencePairIxn.h"
...
...
platforms/reference/src/SimTKReference/ReferenceProperDihedralBond.cpp
View file @
e3b25204
...
@@ -25,9 +25,9 @@
...
@@ -25,9 +25,9 @@
#include <string.h>
#include <string.h>
#include <sstream>
#include <sstream>
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceProperDihedralBond.h"
#include "ReferenceProperDihedralBond.h"
#include "ReferenceForce.h"
#include "ReferenceForce.h"
...
...
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