| 35 |
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* |
| 36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 39 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
> |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
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*/ |
| 42 |
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|
| 43 |
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#ifndef VISITORS_OTHERVISITOR_HPP |
| 114 |
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|
| 115 |
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void writeFrame(std::ostream& outStream); |
| 116 |
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void clear() {frame.clear();} |
| 117 |
< |
void doPositions(bool pos) {doPositions_ = pos;} |
| 118 |
< |
void doVelocities(bool vel){doVelocities_ = vel;} |
| 119 |
< |
void doForces(bool frc) {doForces_ = frc;} |
| 120 |
< |
void doVectors(bool vec) {doVectors_ = vec;} |
| 121 |
< |
void doCharges(bool chg) {doCharges_ = chg;} |
| 117 |
> |
void doPositions(bool pos) {doPositions_ = pos;} |
| 118 |
> |
void doVelocities(bool vel) {doVelocities_ = vel;} |
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> |
void doForces(bool frc) {doForces_ = frc;} |
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> |
void doVectors(bool vec) {doVectors_ = vec;} |
| 121 |
> |
void doCharges(bool chg) {doCharges_ = chg;} |
| 122 |
> |
void doElectricFields(bool efl) {doElectricFields_ = efl;} |
| 123 |
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|
| 124 |
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protected: |
| 125 |
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void internalVisit(StuntDouble* sd); |
| 137 |
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bool doForces_; |
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bool doVectors_; |
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bool doCharges_; |
| 140 |
+ |
bool doElectricFields_; |
| 141 |
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}; |
| 142 |
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| 143 |
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| 146 |
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PrepareVisitor() : BaseVisitor() {visitorName = "prepareVisitor";} |
| 147 |
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| 148 |
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virtual void visit(Atom* atom) {internalVisit(atom);} |
| 149 |
< |
virtual void visit(DirectionalAtom* datom) {internalVisit((Atom*)datom);} |
| 149 |
> |
virtual void visit(DirectionalAtom* datom) {internalVisit(reinterpret_cast<Atom*>(datom));} |
| 150 |
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virtual void visit(RigidBody* rb) {internalVisit(rb);} |
| 151 |
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|
| 152 |
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virtual const std::string toString(); |