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#define INTEGRATORS_INTEGRATOR_HPP |
| 52 |
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|
| 53 |
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#include "brains/ForceManager.hpp" |
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+ |
#include "restraints/ThermoIntegrationForceManager.hpp" |
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#include "io/DumpWriter.hpp" |
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#include "io/StatWriter.hpp" |
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+ |
#include "io/RestWriter.hpp" |
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#include "integrators/Velocitizer.hpp" |
| 59 |
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|
| 60 |
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namespace oopse { |
| 106 |
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} |
| 107 |
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|
| 108 |
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SimInfo* info_; |
| 109 |
+ |
Globals* simParams; |
| 110 |
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ForceManager* forceMan_; |
| 111 |
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bool needPotential; |
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bool needStress; |
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bool needVelocityScaling; |
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double targetScalingTemp; |
| 117 |
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|
| 118 |
< |
DumpWriter*dumpWriter; |
| 118 |
> |
DumpWriter* dumpWriter; |
| 119 |
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StatWriter* statWriter; |
| 120 |
+ |
RestWriter* restWriter; |
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Thermo thermo; |
| 122 |
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|
| 123 |
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double runTime; |