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tsoc
openmm
Commits
29856d18
Commit
29856d18
authored
Jan 12, 2015
by
peastman
Browse files
Fixed bug in reference CustomCompoundBondForce
parent
bf8de1fd
Changes
1
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platforms/reference/src/SimTKReference/ReferenceCustomCompoundBondIxn.cpp
...nce/src/SimTKReference/ReferenceCustomCompoundBondIxn.cpp
+2
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platforms/reference/src/SimTKReference/ReferenceCustomCompoundBondIxn.cpp
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29856d18
/* Portions copyright (c) 2009-201
0
Stanford University and Simbios.
/* Portions copyright (c) 2009-201
5
Stanford University and Simbios.
* Contributors: Peter Eastman
* Contributors: Peter Eastman
*
*
* Permission is hereby granted, free of charge, to any person obtaining
* Permission is hereby granted, free of charge, to any person obtaining
...
@@ -127,7 +127,7 @@ void ReferenceCustomCompoundBondIxn::calculateOneIxn(int bond, vector<RealVec>&
...
@@ -127,7 +127,7 @@ void ReferenceCustomCompoundBondIxn::calculateOneIxn(int bond, vector<RealVec>&
const
vector
<
int
>&
atoms
=
bondAtoms
[
bond
];
const
vector
<
int
>&
atoms
=
bondAtoms
[
bond
];
for
(
int
i
=
0
;
i
<
(
int
)
particleTerms
.
size
();
i
++
)
{
for
(
int
i
=
0
;
i
<
(
int
)
particleTerms
.
size
();
i
++
)
{
const
ParticleTermInfo
&
term
=
particleTerms
[
i
];
const
ParticleTermInfo
&
term
=
particleTerms
[
i
];
variables
[
term
.
name
]
=
atomCoordinates
[
term
.
atom
][
term
.
component
];
variables
[
term
.
name
]
=
atomCoordinates
[
atoms
[
term
.
atom
]
]
[
term
.
component
];
}
}
for
(
int
i
=
0
;
i
<
(
int
)
distanceTerms
.
size
();
i
++
)
{
for
(
int
i
=
0
;
i
<
(
int
)
distanceTerms
.
size
();
i
++
)
{
const
DistanceTermInfo
&
term
=
distanceTerms
[
i
];
const
DistanceTermInfo
&
term
=
distanceTerms
[
i
];
...
...
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