65 |
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66 |
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public: |
67 |
|
static InteractionManager* Instance(); |
68 |
< |
static void setForceField(ForceField *ff) {forceField_ = ff;}; |
68 |
> |
static void setForceField(ForceField *ff) {forceField_ = ff;} |
69 |
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70 |
< |
static void setCutoffRadius(RealType rcut); |
71 |
< |
static void setSwitchingRadius(RealType rsw); |
72 |
< |
static void useShiftedForce(); |
70 |
> |
static void setCutoffRadius(RealType rcut) {rCut_ = rcut;} |
71 |
> |
static void setSwitchingRadius(RealType rsw) {rSwitch_ = rsw;} |
72 |
> |
static void useShiftedForce() ; |
73 |
|
static void useShiftedPot(); |
74 |
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|
75 |
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// Fortran support routines |
102 |
|
static Morse* morse_; |
103 |
|
static Electrostatic* electrostatic_; |
104 |
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|
105 |
+ |
static RealType rCut_; |
106 |
+ |
static RealType rSwitch_; |
107 |
+ |
|
108 |
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static map<int, AtomType*> typeMap_; |
109 |
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/** |
110 |
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* Each pair of atom types can have multiple interactions, so the |