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tsoc
openmm
Commits
d54938ac
Commit
d54938ac
authored
Jul 20, 2020
by
Peter Eastman
Browse files
Workaround for gcc bug
parent
c2a049b0
Changes
1
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1 changed file
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4 additions
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2 deletions
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-2
plugins/amoeba/openmmapi/src/AmoebaVdwForceImpl.cpp
plugins/amoeba/openmmapi/src/AmoebaVdwForceImpl.cpp
+4
-2
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plugins/amoeba/openmmapi/src/AmoebaVdwForceImpl.cpp
View file @
d54938ac
...
@@ -104,8 +104,10 @@ void AmoebaVdwForceImpl::createParameterMatrix(const AmoebaVdwForce& force, vect
...
@@ -104,8 +104,10 @@ void AmoebaVdwForceImpl::createParameterMatrix(const AmoebaVdwForce& force, vect
force
.
getParticleParameters
(
i
,
parent
,
sigma
,
epsilon
,
reduction
,
isAlchemical
,
typeIndex
);
force
.
getParticleParameters
(
i
,
parent
,
sigma
,
epsilon
,
reduction
,
isAlchemical
,
typeIndex
);
pair
<
double
,
double
>
params
=
make_pair
(
sigma
,
epsilon
);
pair
<
double
,
double
>
params
=
make_pair
(
sigma
,
epsilon
);
map
<
pair
<
double
,
double
>
,
int
>::
iterator
entry
=
typeForParams
.
find
(
params
);
map
<
pair
<
double
,
double
>
,
int
>::
iterator
entry
=
typeForParams
.
find
(
params
);
if
(
entry
==
typeForParams
.
end
())
if
(
entry
==
typeForParams
.
end
())
{
typeForParams
[
params
]
=
typeForParams
.
size
();
int
index
=
typeForParams
.
size
();
typeForParams
[
params
]
=
index
;
}
type
[
i
]
=
typeForParams
[
params
];
type
[
i
]
=
typeForParams
[
params
];
}
}
numTypes
=
typeForParams
.
size
();
numTypes
=
typeForParams
.
size
();
...
...
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