version 1.1263 | version 1.1264 | ||
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occupancy = NULL; | occupancy = NULL; | ||
bfactor = NULL; | bfactor = NULL; | ||
qmElementArray=0; | |||
qmDummyElement=0; | |||
qmGrpSizes=0; | |||
qmAtomGroup=0; | |||
qmAtmChrg=0; | |||
qmAtmIndx=0; | |||
qmGrpID=0; | |||
qmGrpChrg=0; | |||
qmGrpMult=0; | |||
qmGrpNumBonds=0; | |||
qmMMBond=0; | |||
qmGrpBonds=0; | |||
qmMMBondedIndx=0; | |||
qmMMChargeTarget=0; | |||
qmMMNumTargs=0; | |||
qmDummyBondVal=0; | |||
qmMeMMindx=0; | |||
qmMeQMGrp=0; | |||
qmCustomPCIdxs=0; | |||
qmCustPCSizes=0; | |||
qmLSSSize=0; | |||
qmLSSIdxs=0; | |||
qmLSSMass=0; | |||
qmLSSRefIDs=0; | |||
qmLSSRefMass=0; | |||
qmLSSRefSize=0; | |||
goInit(); | goInit(); | ||
} | } | ||
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