| 94 |
|
bool isDipole() { |
| 95 |
|
return atomType_->isDipole(); |
| 96 |
|
} |
| 97 |
– |
|
| 98 |
– |
bool isQudrapole() { |
| 99 |
– |
return atomType_->isQuadrupole(); |
| 100 |
– |
} |
| 97 |
|
|
| 98 |
|
bool isMultipole() { |
| 99 |
|
return atomType_->isMultipole(); |
| 115 |
|
return atomType_->isMetal(); |
| 116 |
|
} |
| 117 |
|
|
| 118 |
+ |
bool isFluctuatingCharge() { |
| 119 |
+ |
return atomType_->isFluctuatingCharge(); |
| 120 |
+ |
} |
| 121 |
+ |
|
| 122 |
|
int getIdent() { |
| 123 |
|
return atomType_->getIdent(); |
| 124 |
|
} |
| 125 |
|
|
| 126 |
+ |
RealType getChargeMass() { |
| 127 |
+ |
return chargeMass_; |
| 128 |
+ |
} |
| 129 |
+ |
|
| 130 |
+ |
void setChargeMass(RealType cm) { |
| 131 |
+ |
chargeMass_ = cm; |
| 132 |
+ |
} |
| 133 |
+ |
|
| 134 |
|
protected: |
| 135 |
|
AtomType* atomType_; |
| 136 |
+ |
RealType chargeMass_; |
| 137 |
|
}; |
| 138 |
|
|
| 139 |
|
}//namespace OpenMD |