35 |
|
* |
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). |
38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
40 |
|
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
41 |
|
*/ |
97 |
|
sprintf( painCave.errMsg, |
98 |
|
"HullFinder : Hull calculation is not possible without libqhull.\n" |
99 |
|
"\tPlease rebuild OpenMD with qhull enabled."); |
100 |
< |
painCave.severity = OPENMD_ERROR; |
101 |
< |
painCave.isFatal = 1; |
102 |
< |
simError(); |
100 |
> |
painCave.severity = OPENMD_ERROR; |
101 |
> |
painCave.isFatal = 1; |
102 |
> |
simError(); |
103 |
|
#endif |
104 |
|
|
105 |
|
std::vector<Triangle> sMesh = surfaceMesh_->getMesh(); |