Searched refs:dataCanBeSet (Results 1 – 2 of 2) sorted by relevance
46 dataCanBeSet(false), in Atoms()80 forcesHaveBeenSet=0; virialHasBeenSet=false; dataCanBeSet=true; in startStep()89 plumed_massert( dataCanBeSet,"setPositions must be called after setStep in MD code interface"); in setPositions()95 plumed_massert( dataCanBeSet,"setMasses must be called after setStep in MD code interface"); in setMasses()102 plumed_massert( dataCanBeSet, "setCharges must be called after setStep in MD code interface"); in setCharges()108 plumed_massert( dataCanBeSet,"setVirial must be called after setStep in MD code interface"); in setVirial()113 plumed_massert( dataCanBeSet,"setEnergy must be called after setStep in MD code interface"); in setEnergy()120 plumed_massert( dataCanBeSet,"setForces must be called after setStep in MD code interface"); in setForces()127 plumed_massert( dataCanBeSet,"setPositions must be called after setStep in MD code interface"); in setPositions()133 plumed_massert( dataCanBeSet,"setForces must be called after setStep in MD code interface"); in setForces()[all …]
74 bool dataCanBeSet; variable