void SetupJob () { AllocArrays (); stepCount = 0; InitCoords (); InitVels (); InitAccels (); AccumProps (0); }
void SetupJob () { AllocArrays (); InitCoords (); InitVels (); timeNow = nextSumTime = 0.; collCount = crossCount = 0.; StartRun (); ScheduleEvent (0, MOL_LIMIT + 6, nextSumTime); InitFreePath (); }
void SetupJob () { AllocArrays (); DefineMol (); stepCount = 0; InitCoords (); InitVels (); InitAccels (); InitAngCoords (); InitAngVels (); InitAngAccels (); AccumProps (0); }
void SetupJob () { AllocArrays (); InitRand (randSeed); stepCount = 0; InitCoords (); InitVels (); InitAccels (); InitAngCoords (); InitAngVels (); InitAngAccels (); AccumProps (0); countRdf = 0; }
void SetupJob () { SetupFiles (); AllocArrays (); InitCoords (); InitVels (); timeNow = nextSumTime = 0.; collCount = crossCount = 0.; countGrid = 0; nextSnapTime = intervalGrid; StartRun (); GridAverage (0); ScheduleEvent (0, MOL_LIMIT + 6, nextSumTime); ScheduleEvent (0, MOL_LIMIT + 7, nextSnapTime); }