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tsoc
openmm
Commits
8928a337
Commit
8928a337
authored
Jan 06, 2011
by
Mark Friedrichs
Browse files
Set enum values -- needed for pyopenmm(?)
parent
4c87fcab
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plugins/amoeba/openmmapi/include/openmm/AmoebaMultipoleForce.h
...ns/amoeba/openmmapi/include/openmm/AmoebaMultipoleForce.h
+4
-4
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plugins/amoeba/openmmapi/include/openmm/AmoebaMultipoleForce.h
View file @
8928a337
...
...
@@ -63,17 +63,17 @@ public:
PME
=
1
};
enum
MultipoleAxisTypes
{
ZThenX
,
Bisector
,
ZBisect
,
ThreeFold
,
ZOnly
,
LastAxisTypeIndex
};
enum
MultipoleAxisTypes
{
ZThenX
=
0
,
Bisector
=
1
,
ZBisect
=
2
,
ThreeFold
=
3
,
ZOnly
=
4
,
LastAxisTypeIndex
=
5
};
// Algorithm used to converge mutual induced dipoles:
// SOR: successive-over-relaxation
//enum MutualInducedIterationMethod { SOR, ConjugateGradient };
enum
MutualInducedIterationMethod
{
SOR
};
enum
MutualInducedIterationMethod
{
SOR
=
0
};
enum
CovalentType
{
Covalent12
,
Covalent13
,
Covalent14
,
Covalent15
,
PolarizationCovalent11
,
PolarizationCovalent12
,
PolarizationCovalent13
,
PolarizationCovalent14
,
CovalentEnd
};
Covalent12
=
0
,
Covalent13
=
1
,
Covalent14
=
2
,
Covalent15
=
3
,
PolarizationCovalent11
=
4
,
PolarizationCovalent12
=
5
,
PolarizationCovalent13
=
6
,
PolarizationCovalent14
=
7
,
CovalentEnd
=
8
};
/**
* Create a Amoeba MultipoleForce.
...
...
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