26 |
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virtual ~Integrator(); |
27 |
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void integrate( void ); |
28 |
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virtual double getConservedQuantity(void); |
29 |
< |
virtual string getAdditionalParameters(void); |
29 |
> |
virtual char* getAdditionalParameters(void); |
30 |
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31 |
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protected: |
32 |
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78 |
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StatWriter* statOut; |
79 |
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DumpWriter* dumpOut; |
80 |
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81 |
+ |
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82 |
+ |
char addParams[100]; |
83 |
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}; |
84 |
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85 |
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class NVE : public Integrator { |
152 |
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} |
153 |
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154 |
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virtual double getConservedQuantity(void) = 0; |
155 |
< |
virtual string getAdditionalParameters(void) = 0; |
155 |
> |
virtual char* getAdditionalParameters(void) = 0; |
156 |
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157 |
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double myTauThermo( void ) { return tauThermostat; } |
158 |
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double myTauBaro( void ) { return tauBarostat; } |
241 |
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242 |
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virtual double getConservedQuantity(void); |
243 |
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virtual void resetIntegrator(void); |
244 |
< |
virtual string getAdditionalParameters(void); |
244 |
> |
virtual char* getAdditionalParameters(void); |
245 |
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protected: |
246 |
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247 |
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269 |
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virtual ~NPTf(); |
270 |
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271 |
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virtual double getConservedQuantity(void); |
272 |
< |
virtual string getAdditionalParameters(void); |
272 |
> |
virtual char* getAdditionalParameters(void); |
273 |
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virtual void resetIntegrator(void); |
274 |
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275 |
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protected: |
299 |
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virtual ~NPTxyz(); |
300 |
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301 |
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virtual double getConservedQuantity(void); |
302 |
< |
virtual string getAdditionalParameters(void); |
302 |
> |
virtual char* getAdditionalParameters(void); |
303 |
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virtual void resetIntegrator(void); |
304 |
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305 |
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protected: |