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tsoc
openmm
Commits
2ad1f6db
Commit
2ad1f6db
authored
Sep 05, 2014
by
peastman
Browse files
Fixed error using type filters in UniqueCentralParticle mode
parent
c7f629ac
Changes
1
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openmmapi/src/CustomManyParticleForceImpl.cpp
openmmapi/src/CustomManyParticleForceImpl.cpp
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openmmapi/src/CustomManyParticleForceImpl.cpp
View file @
2ad1f6db
...
@@ -287,7 +287,7 @@ void CustomManyParticleForceImpl::buildFilterArrays(const CustomManyParticleForc
...
@@ -287,7 +287,7 @@ void CustomManyParticleForceImpl::buildFilterArrays(const CustomManyParticleForc
vector
<
int
>
values
;
vector
<
int
>
values
;
for
(
int
i
=
0
;
i
<
numParticlesPerSet
;
i
++
)
for
(
int
i
=
0
;
i
<
numParticlesPerSet
;
i
++
)
values
.
push_back
(
i
);
values
.
push_back
(
i
);
generatePermutations
(
values
,
0
,
particleOrder
);
generatePermutations
(
values
,
force
.
getPermutationMode
()
==
CustomManyParticleForce
::
SinglePermutation
?
0
:
1
,
particleOrder
);
int
numOrders
=
particleOrder
.
size
();
int
numOrders
=
particleOrder
.
size
();
// Now we need to loop over every possible sequence of type codes, and for each one figure out which order to use.
// Now we need to loop over every possible sequence of type codes, and for each one figure out which order to use.
...
...
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