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main, AllocArrays - Coggle Diagram
main
(initialisation phase)
PrintNameList
SetParams
SetupJob
#
GetNameList
SingleStep
LeapfrogStep(1)
ApplyBoundaryCond
ComputeForces
interaction computation
LeapfrogStep(2)
EvalProps
kinEnergy
totEnergy
pressure
AccumProps(1)
PropAccum
AccumProps(2)
PropAvg
AccumProps(0)
PropZero
EvalVelDist
histogram function
BuildNebrList
AdjustTemp
while(moreCycles)
AdjustInitTemp
nameList[]
AllocArrays
InitCoords
InitVels
InitAccels
AccumProps(0)
#
FCC
Cubic Lattice
BCC
Diamond Lattice
square
triangular