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tsoc
openmm
Commits
42fefa91
"openmmapi/src/Force.cpp" did not exist on "0e879806cdd38e58b04481ecf7fcd93c44c7dc27"
Commit
42fefa91
authored
Mar 02, 2014
by
Jason Swails
Browse files
One more int -> double
parent
b0c5b0c1
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openmmapi/src/NonbondedForceImpl.cpp
openmmapi/src/NonbondedForceImpl.cpp
+1
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openmmapi/src/NonbondedForceImpl.cpp
View file @
42fefa91
...
@@ -260,7 +260,7 @@ double NonbondedForceImpl::calcDispersionCorrection(const System& system, const
...
@@ -260,7 +260,7 @@ double NonbondedForceImpl::calcDispersionCorrection(const System& system, const
sum3
+=
count
*
epsilon
*
(
evalIntegral
(
cutoff
,
switchDist
,
cutoff
,
sigma
)
-
evalIntegral
(
switchDist
,
switchDist
,
cutoff
,
sigma
));
sum3
+=
count
*
epsilon
*
(
evalIntegral
(
cutoff
,
switchDist
,
cutoff
,
sigma
)
-
evalIntegral
(
switchDist
,
switchDist
,
cutoff
,
sigma
));
}
}
double
numParticles
=
(
double
)
system
.
getNumParticles
();
double
numParticles
=
(
double
)
system
.
getNumParticles
();
int
numInteractions
=
(
numParticles
*
(
numParticles
+
1
))
/
2
;
double
numInteractions
=
(
numParticles
*
(
numParticles
+
1
))
/
2
;
sum1
/=
numInteractions
;
sum1
/=
numInteractions
;
sum2
/=
numInteractions
;
sum2
/=
numInteractions
;
sum3
/=
numInteractions
;
sum3
/=
numInteractions
;
...
...
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