| 49 |
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|
| 50 |
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namespace OpenMD { |
| 51 |
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Integrator::Integrator(SimInfo* info) |
| 52 |
< |
: info_(info), forceMan_(NULL) , needPotential(false), needStress(false), |
| 53 |
< |
needReset(false), velocitizer_(NULL), needVelocityScaling(false), |
| 54 |
< |
rnemd_(NULL), useRNEMD(false), rotAlgo_(NULL), flucQ_(NULL), |
| 55 |
< |
rattle_(NULL), dumpWriter(NULL), statWriter(NULL), thermo(info), |
| 56 |
< |
snap(info->getSnapshotManager()->getCurrentSnapshot()) { |
| 52 |
> |
: info_(info), forceMan_(NULL), rotAlgo_(NULL), flucQ_(NULL), |
| 53 |
> |
rattle_(NULL), velocitizer_(NULL), rnemd_(NULL), |
| 54 |
> |
needPotential(false), needStress(false), |
| 55 |
> |
needReset(false), needVelocityScaling(false), |
| 56 |
> |
useRNEMD(false), dumpWriter(NULL), statWriter(NULL), thermo(info_), |
| 57 |
> |
snap(info_->getSnapshotManager()->getCurrentSnapshot()) { |
| 58 |
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|
| 59 |
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simParams = info->getSimParams(); |
| 60 |
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|