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