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tsoc
openmm
Commits
4e280d49
Commit
4e280d49
authored
Oct 30, 2012
by
Peter Eastman
Browse files
Fixed compilation errors
parent
85eeb490
Changes
3
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3 changed files
with
7 additions
and
3 deletions
+7
-3
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
...ence/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
+4
-0
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.h
...erence/src/SimTKReference/AmoebaReferenceMultipoleForce.h
+2
-2
plugins/rpmd/openmmapi/src/RPMDIntegrator.cpp
plugins/rpmd/openmmapi/src/RPMDIntegrator.cpp
+1
-1
No files found.
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
View file @
4e280d49
...
...
@@ -4407,6 +4407,10 @@ RealOpenMM AmoebaReferenceGeneralizedKirkwoodMultipoleForce::calculateKirkwoodED
return energy;
}
const int AmoebaReferencePmeMultipoleForce::AMOEBA_PME_ORDER = 5;
const RealOpenMM AmoebaReferencePmeMultipoleForce::SQRT_PI = 1.77245385091;
AmoebaReferencePmeMultipoleForce::AmoebaReferencePmeMultipoleForce( void ) :
AmoebaReferenceMultipoleForce(PME),
_cutoffDistance(1.0), _cutoffDistanceSquared(1.0),
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.h
View file @
4e280d49
...
...
@@ -1285,8 +1285,8 @@ public:
private:
static
const
int
AMOEBA_PME_ORDER
=
5
;
static
const
RealOpenMM
SQRT_PI
=
1.77245385091
;
static
const
int
AMOEBA_PME_ORDER
;
static
const
RealOpenMM
SQRT_PI
;
RealOpenMM
_alphaEwald
;
RealOpenMM
_cutoffDistance
;
...
...
plugins/rpmd/openmmapi/src/RPMDIntegrator.cpp
View file @
4e280d49
...
...
@@ -91,7 +91,7 @@ State RPMDIntegrator::getState(int copy, int types, bool enforcePeriodicBox, int
}
double
RPMDIntegrator
::
computeKineticEnergy
()
{
kernel
.
getAs
<
IntegrateRPMDStepKernel
>
().
computeKineticEnergy
(
*
context
,
*
this
);
return
kernel
.
getAs
<
IntegrateRPMDStepKernel
>
().
computeKineticEnergy
(
*
context
,
*
this
);
}
void
RPMDIntegrator
::
step
(
int
steps
)
{
...
...
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