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Comparing branches/development/src/nonbonded/GB.cpp (file contents):
Revision 1710 by gezelter, Fri May 18 21:44:02 2012 UTC vs.
Revision 1875 by gezelter, Fri May 17 14:41:42 2013 UTC

# Line 35 | Line 35
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   */
# Line 182 | Line 182 | namespace OpenMD {
182          eS2 = eX2;
183          eE2 = eX2;
184          dw2 = 1.0;
185 <      }
185 >      } else {
186 >        sprintf( painCave.errMsg,
187 >                 "GB::addType found an atomType (%s) that does not\n"
188 >                 "\tappear to be a Gay-Berne or Lennard-Jones atom.\n",
189 >                 atype2->getName().c_str());
190 >        painCave.severity = OPENMD_ERROR;
191 >        painCave.isFatal = 1;
192 >        simError();
193 >      }
194 >
195                        
196        GBInteractionData mixer1, mixer2;    
197        

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