99 |
|
|
100 |
|
static void setupCutoffs(); |
101 |
|
static void setupSwitching(); |
102 |
– |
static void setupNeighborlists(); |
102 |
|
static void setupElectrostatics(); |
103 |
|
|
104 |
|
static SimInfo* info_; |
116 |
|
static RealType rSwitch_; /**< inner radius of switching function */ |
117 |
|
static CutoffMethod cutoffMethod_;/**< Cutoff Method for most non-bonded interactions */ |
118 |
|
static SwitchingFunctionType sft_;/**< Type of switching function in use */ |
120 |
– |
static RealType listRadius_; /**< Verlet neighbor list radius */ |
121 |
– |
static RealType skinThickness_; /**< Verlet neighbor list skin thickness */ |
119 |
|
|
120 |
|
static RealType vdwScale_[4]; |
121 |
|
static RealType electrostaticScale_[4]; |