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tsoc
openmm
Commits
a84f728a
"libraries/lepton/src/ExpressionProgram.cpp" did not exist on "0e879806cdd38e58b04481ecf7fcd93c44c7dc27"
Commit
a84f728a
authored
Jan 18, 2016
by
Saurabh Belsare
Browse files
Fixed typo
parent
5aeef6df
Changes
1
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plugins/amoeba/platforms/reference/src/AmoebaReferenceKernels.cpp
...amoeba/platforms/reference/src/AmoebaReferenceKernels.cpp
+1
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plugins/amoeba/platforms/reference/src/AmoebaReferenceKernels.cpp
View file @
a84f728a
...
@@ -723,7 +723,7 @@ void ReferenceCalcAmoebaMultipoleForceKernel::getLabFramePermanentDipoles(Contex
...
@@ -723,7 +723,7 @@ void ReferenceCalcAmoebaMultipoleForceKernel::getLabFramePermanentDipoles(Contex
vector
<
RealVec
>
labFramePermanentDipoles
;
vector
<
RealVec
>
labFramePermanentDipoles
;
amoebaReferenceMultipoleForce
->
calculateLabFramePermanentDipoles
(
posData
,
charges
,
dipoles
,
quadrupoles
,
tholes
,
amoebaReferenceMultipoleForce
->
calculateLabFramePermanentDipoles
(
posData
,
charges
,
dipoles
,
quadrupoles
,
tholes
,
dampingFactors
,
polarity
,
axisTypes
,
multipoleAtom
s
Zs
,
multipoleAtom
s
Xs
,
multipoleAtom
s
Ys
,
multipoleAtomCovalentInfo
,
labFramePermanentDipoles
);
dampingFactors
,
polarity
,
axisTypes
,
multipoleAtomZs
,
multipoleAtomXs
,
multipoleAtomYs
,
multipoleAtomCovalentInfo
,
labFramePermanentDipoles
);
for
(
int
i
=
0
;
i
<
numParticles
;
i
++
)
for
(
int
i
=
0
;
i
<
numParticles
;
i
++
)
outputDipoles
[
i
]
=
labFramePermanentDipoles
[
i
];
outputDipoles
[
i
]
=
labFramePermanentDipoles
[
i
];
delete
amoebaReferenceMultipoleForce
;
delete
amoebaReferenceMultipoleForce
;
...
...
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