| 36 | 
  | 
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).              | 
| 37 | 
  | 
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).           | 
| 38 | 
  | 
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).           | 
| 39 | 
< | 
 * [4]  Vardeman & Gezelter, in progress (2009).                         | 
| 39 | 
> | 
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 | 
> | 
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 | 
  | 
 */ | 
| 42 | 
  | 
 | 
| 43 | 
  | 
#include "selection/HullFinder.hpp" | 
| 96 | 
  | 
    surfaceMesh_->computeHull(localSites_); | 
| 97 | 
  | 
#else | 
| 98 | 
  | 
    sprintf( painCave.errMsg, | 
| 99 | 
< | 
             "HullFinder error: Hull calculation is not possible without libqhull.\n", | 
| 100 | 
< | 
             "Please rebuild OpenMD with qhull enabled."); | 
| 99 | 
> | 
             "HullFinder : Hull calculation is not possible without libqhull.\n" | 
| 100 | 
> | 
             "\tPlease rebuild OpenMD with qhull enabled."); | 
| 101 | 
  | 
      painCave.severity = OPENMD_ERROR; | 
| 102 | 
  | 
      painCave.isFatal = 1; | 
| 103 | 
  | 
      simError(); |