| 88 | 
  | 
  } | 
| 89 | 
  | 
 | 
| 90 | 
  | 
  void ForceDecomposition::fillSelfData(SelfData &sdat, int atom1) { | 
| 91 | 
< | 
     | 
| 92 | 
< | 
    // Still Missing atype, skippedCharge, potVec pot, | 
| 91 | 
> | 
 | 
| 92 | 
> | 
    sdat.atype = ff_->getAtomType(idents[atom1]); | 
| 93 | 
> | 
         | 
| 94 | 
> | 
    // Still Missing skippedCharge | 
| 95 | 
  | 
    if (storageLayout_ & DataStorage::dslElectroFrame) { | 
| 96 | 
  | 
      sdat.eFrame = &(snap_->atomData.electroFrame[atom1]); | 
| 97 | 
  | 
    } | 
| 149 | 
  | 
    if (dispmax > skinThickness_) { | 
| 150 | 
  | 
      cerr << "build because movement\n"; | 
| 151 | 
  | 
      return (dispmax > skinThickness_);    | 
| 152 | 
+ | 
    } else { | 
| 153 | 
+ | 
      cerr << "not rebuilding\n"; | 
| 154 | 
  | 
    } | 
| 155 | 
  | 
    return false; | 
| 156 | 
  | 
  } |