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root/OpenMD/branches/development/src/applications/simpleBuilder/simpleBuilder.cpp
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Comparing branches/development/src/applications/simpleBuilder/simpleBuilder.cpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1808 by gezelter, Mon Oct 22 20:42:10 2012 UTC

# Line 70 | Line 70 | int main(int argc, char *argv []) {
70  
71   int main(int argc, char *argv []) {
72  
73 –  // register force fields
74 –  registerForceFields();
73    registerLattice();
74      
75    gengetopt_args_info args_info;
# Line 159 | Line 157 | int main(int argc, char *argv []) {
157  
158    // Calculate lattice constant (in Angstroms)
159  
160 <  RealType avgMass = getMolMass(oldInfo->getMoleculeStamp(0),
161 <                                  oldInfo->getForceField());
160 >  RealType avgMass = MoLocator::getMolMass(oldInfo->getMoleculeStamp(0),
161 >                                           oldInfo->getForceField());
162  
163    latticeConstant = pow(rhoConvertConst * nMolPerCell * avgMass / density,
164                          (RealType)(1.0 / 3.0));

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