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 not possible without libqhull.\n", |
100 |
< |
"Please rebuild with Qhull"); |
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(); |