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#include "fSimulation.h" |
| 16 |
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#include "fortranWrapDefines.hpp" |
| 17 |
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#include "GenericData.hpp" |
| 18 |
+ |
#include "Minimizer.hpp" |
| 19 |
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| 20 |
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|
| 20 |
– |
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| 21 |
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class SimInfo{ |
| 22 |
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| 23 |
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public: |
| 110 |
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char mixingRule[100]; // the mixing rules for Lennard jones/van der walls |
| 111 |
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BaseIntegrator *the_integrator; // the integrator of the simulation |
| 112 |
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|
| 113 |
+ |
Minimizer* the_minimizer; // the energy minimizer |
| 114 |
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bool has_minimizer; |
| 115 |
+ |
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| 116 |
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char finalName[300]; // the name of the eor file to be written |
| 117 |
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char sampleName[300]; // the name of the dump file to be written |
| 118 |
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char statusName[300]; // the name of the stat file to be written |
