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#include "fSimulation.h" |
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#include "fortranWrapDefines.hpp" |
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#include "GenericData.hpp" |
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+ |
//#include "Minimizer.hpp" |
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//#include "OOPSEMinimizer.hpp" |
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|
| 21 |
< |
|
| 20 |
< |
|
| 21 |
> |
class OOPSEMinimizer; |
| 22 |
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class SimInfo{ |
| 23 |
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| 24 |
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public: |
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char mixingRule[100]; // the mixing rules for Lennard jones/van der walls |
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BaseIntegrator *the_integrator; // the integrator of the simulation |
| 113 |
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| 114 |
+ |
OOPSEMinimizer* the_minimizer; // the energy minimizer |
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+ |
bool has_minimizer; |
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+ |
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char finalName[300]; // the name of the eor file to be written |
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char sampleName[300]; // the name of the dump file to be written |
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char statusName[300]; // the name of the stat file to be written |
