# | Line 74 | Line 74 | void VelocityVerletIntegrator::initialize(){ | |
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74 | statWriter = createStatWriter(); | |
75 | ||
76 | dumpWriter->writeDump(); | |
77 | + | |
78 | + | //save statistics |
79 | + | thermo.saveStat(); |
80 | + | saveConservedQuantity(); |
81 | + | |
82 | + | //before writeStat, we must save statistics |
83 | statWriter->writeStat(currentSnapshot_->statData); | |
84 | ||
85 | } | |
# | Line 118 | Line 124 | void VelocityVerletIntegrator::postStep() { | |
124 | ||
125 | //save statistics | |
126 | thermo.saveStat(); | |
127 | < | calcConservedQuantity(); |
127 | > | saveConservedQuantity(); |
128 | ||
129 | if (needVelocityScaling) { | |
130 | if (currentSnapshot_->getTime() >= currThermal) { |
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