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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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Showing
20 changed files
with
79 additions
and
79 deletions
+79
-79
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
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
No files found.
platforms/reference/
src/SimTKReferenc
e/fftpack.h
→
platforms/reference/
includ
e/fftpack.h
View file @
0534520e
...
...
@@ -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 @
0534520e
...
...
@@ -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 @
0534520e
...
...
@@ -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 @
0534520e
...
...
@@ -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 @
0534520e
...
...
@@ -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 @
0534520e
...
...
@@ -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 @
0534520e
...
...
@@ -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 @
0534520e
...
...
@@ -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 @
0534520e
...
...
@@ -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"
...
...
platforms/reference/src/SimTKReference/ReferenceCCMAAlgorithm.cpp
View file @
0534520e
...
...
@@ -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 "ReferenceCCMAAlgorithm.h"
#include "ReferenceDynamics.h"
#include "quern.h"
...
...
platforms/reference/src/SimTKReference/ReferenceConstraint.cpp
View file @
0534520e
...
...
@@ -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 "ReferenceConstraint.h"
#include "ReferenceDynamics.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomAngleIxn.cpp
View file @
0534520e
...
...
@@ -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 "ReferenceCustomAngleIxn.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomBondIxn.cpp
View file @
0534520e
...
...
@@ -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 "ReferenceCustomBondIxn.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomCompoundBondIxn.cpp
View file @
0534520e
...
...
@@ -26,9 +26,9 @@
#include <sstream>
#include <utility>
#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 "ReferenceCustomCompoundBondIxn.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomDynamics.cpp
View file @
0534520e
...
...
@@ -22,9 +22,9 @@
* WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
*/
#include "
../SimTKUtilities/
SimTKOpenMMCommon.h"
#include "
../SimTKUtilities/
SimTKOpenMMLog.h"
#include "
../SimTKUtilities/
SimTKOpenMMUtilities.h"
#include "SimTKOpenMMCommon.h"
#include "SimTKOpenMMLog.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferenceVirtualSites.h"
#include "ReferenceCustomDynamics.h"
#include "openmm/OpenMMException.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomExternalIxn.cpp
View file @
0534520e
...
...
@@ -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 "ReferenceCustomExternalIxn.h"
#include "ReferenceForce.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomGBIxn.cpp
View file @
0534520e
...
...
@@ -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 "ReferenceCustomGBIxn.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomHbondIxn.cpp
View file @
0534520e
...
...
@@ -26,9 +26,9 @@
#include <sstream>
#include <utility>
#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 "ReferenceCustomHbondIxn.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomNonbondedIxn.cpp
View file @
0534520e
...
...
@@ -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 "ReferenceCustomNonbondedIxn.h"
...
...
platforms/reference/src/SimTKReference/ReferenceCustomTorsionIxn.cpp
View file @
0534520e
...
...
@@ -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"
...
...
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