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tsoc
openmm
Commits
25a308e6
Commit
25a308e6
authored
Feb 20, 2015
by
peastman
Browse files
Moved AMOEBA reference code into OpenMM namespace
parent
f72062af
Changes
22
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20 changed files
with
33 additions
and
27 deletions
+33
-27
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceAngleForce.cpp
...eference/src/SimTKReference/AmoebaReferenceAngleForce.cpp
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceAngleForce.h
.../reference/src/SimTKReference/AmoebaReferenceAngleForce.h
+2
-2
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceBondForce.cpp
...reference/src/SimTKReference/AmoebaReferenceBondForce.cpp
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceBondForce.h
...s/reference/src/SimTKReference/AmoebaReferenceBondForce.h
+2
-2
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceForce.cpp
...rms/reference/src/SimTKReference/AmoebaReferenceForce.cpp
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceForce.h
...forms/reference/src/SimTKReference/AmoebaReferenceForce.h
+2
-2
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceGeneralizedKirkwoodForce.cpp
...imTKReference/AmoebaReferenceGeneralizedKirkwoodForce.cpp
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceGeneralizedKirkwoodForce.h
.../SimTKReference/AmoebaReferenceGeneralizedKirkwoodForce.h
+3
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceInPlaneAngleForce.cpp
...e/src/SimTKReference/AmoebaReferenceInPlaneAngleForce.cpp
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceInPlaneAngleForce.h
...nce/src/SimTKReference/AmoebaReferenceInPlaneAngleForce.h
+2
-2
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
...ence/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.h
...erence/src/SimTKReference/AmoebaReferenceMultipoleForce.h
+4
-0
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceOutOfPlaneBendForce.cpp
...src/SimTKReference/AmoebaReferenceOutOfPlaneBendForce.cpp
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceOutOfPlaneBendForce.h
...e/src/SimTKReference/AmoebaReferenceOutOfPlaneBendForce.h
+2
-2
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferencePiTorsionForce.cpp
...ence/src/SimTKReference/AmoebaReferencePiTorsionForce.cpp
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferencePiTorsionForce.h
...erence/src/SimTKReference/AmoebaReferencePiTorsionForce.h
+2
-2
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceStretchBendForce.cpp
...ce/src/SimTKReference/AmoebaReferenceStretchBendForce.cpp
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceStretchBendForce.h
...ence/src/SimTKReference/AmoebaReferenceStretchBendForce.h
+2
-2
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceTorsionTorsionForce.cpp
...src/SimTKReference/AmoebaReferenceTorsionTorsionForce.cpp
+1
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceTorsionTorsionForce.h
...e/src/SimTKReference/AmoebaReferenceTorsionTorsionForce.h
+2
-2
No files found.
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceAngleForce.cpp
View file @
25a308e6
...
...
@@ -26,7 +26,7 @@
#include "AmoebaReferenceAngleForce.h"
using
std
::
vector
;
using
OpenMM
::
RealVec
;
using
namespace
OpenMM
;
/**---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceAngleForce.h
View file @
25a308e6
...
...
@@ -28,7 +28,7 @@
#include "RealVec.h"
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
AmoebaReferenceAngleForce
{
...
...
@@ -137,6 +137,6 @@ private:
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // _AmoebaReferenceAngleForce___
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceBondForce.cpp
View file @
25a308e6
...
...
@@ -26,7 +26,7 @@
#include "AmoebaReferenceForce.h"
using
std
::
vector
;
using
OpenMM
::
RealVec
;
using
namespace
OpenMM
;
/**---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceBondForce.h
View file @
25a308e6
...
...
@@ -28,7 +28,7 @@
#include "RealVec.h"
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
AmoebaReferenceBondForce
{
...
...
@@ -102,6 +102,6 @@ private:
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // _AmoebaReferenceBondForce___
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceForce.cpp
View file @
25a308e6
...
...
@@ -25,7 +25,7 @@
#include "AmoebaReferenceForce.h"
#include <vector>
using
OpenMM
::
RealVec
;
using
namespace
OpenMM
;
/**---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceForce.h
View file @
25a308e6
...
...
@@ -29,7 +29,7 @@
#include "openmm/Vec3.h"
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
AmoebaReferenceForce
{
...
...
@@ -137,6 +137,6 @@ public:
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // _AmoebaReferenceForce___
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceGeneralizedKirkwoodForce.cpp
View file @
25a308e6
...
...
@@ -24,7 +24,7 @@
#include "AmoebaReferenceGeneralizedKirkwoodForce.h"
using
std
::
vector
;
using
OpenMM
::
RealVec
;
using
namespace
OpenMM
;
AmoebaReferenceGeneralizedKirkwoodForce
::
AmoebaReferenceGeneralizedKirkwoodForce
(
)
:
_numParticles
(
0
),
_includeCavityTerm
(
1
),
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceGeneralizedKirkwoodForce.h
View file @
25a308e6
...
...
@@ -31,7 +31,7 @@
using
namespace
OpenMM
;
using
namespace
std
;
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
AmoebaReferenceGeneralizedKirkwoodForce
{
...
...
@@ -251,4 +251,6 @@ private:
};
}
// namespace OpenMM
#endif // _AmoebaReferenceGeneralizedKirkwoodForce___
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceInPlaneAngleForce.cpp
View file @
25a308e6
...
...
@@ -26,7 +26,7 @@
#include "AmoebaReferenceInPlaneAngleForce.h"
using
std
::
vector
;
using
OpenMM
::
RealVec
;
using
namespace
OpenMM
;
/**---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceInPlaneAngleForce.h
View file @
25a308e6
...
...
@@ -28,7 +28,7 @@
#include "RealVec.h"
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
AmoebaReferenceInPlaneAngleForce
{
...
...
@@ -140,6 +140,6 @@ private:
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // _AmoebaReferenceInPlaneAngleForce___
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
View file @
25a308e6
...
...
@@ -31,7 +31,7 @@
#include "openmm/internal/MSVC_erfc.h"
using std::vector;
using
OpenMM
::
RealVec
;
using
namespace OpenMM
;
#undef AMOEBA_DEBUG
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.h
View file @
25a308e6
...
...
@@ -31,6 +31,8 @@
#include "fftpack.h"
#include <complex>
namespace
OpenMM
{
typedef
std
::
map
<
unsigned
int
,
RealOpenMM
>
MapIntRealOpenMM
;
typedef
MapIntRealOpenMM
::
iterator
MapIntRealOpenMMI
;
typedef
MapIntRealOpenMM
::
const_iterator
MapIntRealOpenMMCI
;
...
...
@@ -1664,4 +1666,6 @@ private:
};
}
// namespace OpenMM
#endif // _AmoebaReferenceMultipoleForce___
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceOutOfPlaneBendForce.cpp
View file @
25a308e6
...
...
@@ -26,7 +26,7 @@
#include "AmoebaReferenceOutOfPlaneBendForce.h"
using
std
::
vector
;
using
OpenMM
::
RealVec
;
using
namespace
OpenMM
;
/**---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceOutOfPlaneBendForce.h
View file @
25a308e6
...
...
@@ -28,7 +28,7 @@
#include "RealVec.h"
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
AmoebaReferenceOutOfPlaneBendForce
{
...
...
@@ -114,6 +114,6 @@ private:
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // _AmoebaReferenceOutOfPlaneBendForce___
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferencePiTorsionForce.cpp
View file @
25a308e6
...
...
@@ -27,7 +27,7 @@
#include <vector>
using
std
::
vector
;
using
OpenMM
::
RealVec
;
using
namespace
OpenMM
;
/**---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferencePiTorsionForce.h
View file @
25a308e6
...
...
@@ -28,7 +28,7 @@
#include "RealVec.h"
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
AmoebaReferencePiTorsionForce
{
...
...
@@ -109,6 +109,6 @@ private:
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // _AmoebaReferencePiTorsionForce___
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceStretchBendForce.cpp
View file @
25a308e6
...
...
@@ -27,7 +27,7 @@
#include <vector>
using
std
::
vector
;
using
OpenMM
::
RealVec
;
using
namespace
OpenMM
;
/**---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceStretchBendForce.h
View file @
25a308e6
...
...
@@ -28,7 +28,7 @@
#include "RealVec.h"
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
AmoebaReferenceStretchBendForce
{
...
...
@@ -110,6 +110,6 @@ private:
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // _AmoebaReferenceStretchBendForce___
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceTorsionTorsionForce.cpp
View file @
25a308e6
...
...
@@ -26,7 +26,7 @@
#include "AmoebaReferenceTorsionTorsionForce.h"
using
std
::
vector
;
using
OpenMM
::
RealVec
;
using
namespace
OpenMM
;
/**---------------------------------------------------------------------------------------
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceTorsionTorsionForce.h
View file @
25a308e6
...
...
@@ -28,7 +28,7 @@
#include "RealVec.h"
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
AmoebaReferenceTorsionTorsionForce
{
...
...
@@ -212,6 +212,6 @@ private:
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // _AmoebaReferenceTorsionTorsionForce___
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