45 |
|
namespace oopse { |
46 |
|
Integrator::Integrator(SimInfo* info) |
47 |
|
: info_(info), forceMan_(NULL) , needPotential(false), needStress(false), velocitizer_(NULL), |
48 |
< |
needVelocityScaling(false), dumpWriter(NULL), eorWriter(NULL), statWriter(NULL), thermo(info), |
48 |
> |
needVelocityScaling(false), dumpWriter(NULL), statWriter(NULL), thermo(info), |
49 |
|
currentSnapshot_(info->getSnapshotManager()->getCurrentSnapshot()) { |
50 |
|
|
51 |
|
Globals* simParams = info->getSimParams(); |
62 |
|
if (simParams->haveRunTime()) { |
63 |
|
runTime = simParams->getRunTime(); |
64 |
|
} else { |
65 |
< |
|
65 |
> |
sprintf(painCave.errMsg, |
66 |
> |
"Integrator Error: runTime is not set\n"); |
67 |
> |
painCave.isFatal = 1; |
68 |
> |
simError(); |
69 |
|
} |
70 |
|
// set the status, sample, and thermal kick times |
71 |
|
if (simParams->haveSampleTime()){ |
121 |
|
delete velocitizer_; |
122 |
|
|
123 |
|
delete dumpWriter; |
121 |
– |
delete eorWriter; |
124 |
|
delete statWriter; |
125 |
|
} |
126 |
|
|