| 1756 |
|
param->setLineSearchTol(globals->getMinLSTol()); |
| 1757 |
|
} |
| 1758 |
|
|
| 1759 |
< |
strcpy(ensemble, globals->getMinimizer()); |
| 1759 |
> |
strcpy(minimizerName, globals->getMinimizer()); |
| 1760 |
|
|
| 1761 |
|
if (!strcasecmp(minimizerName, "CG")){ |
| 1762 |
|
myOOPSEMinimizer = new PRCGMinimizer(&(info[i]), the_ff, param); |
| 1766 |
|
myOOPSEMinimizer = new SDMinimizer(&(info[i]), the_ff, param); |
| 1767 |
|
} |
| 1768 |
|
else{ |
| 1769 |
< |
info[i].the_integrator = myOOPSEMinimizer; |
| 1769 |
> |
sprintf(painCave.errMsg, |
| 1770 |
> |
"SimSetup error: Unrecognized Minimizer, use Conjugate Gradient \n"); |
| 1771 |
> |
painCave.isFatal = 0; |
| 1772 |
> |
simError(); |
| 1773 |
> |
|
| 1774 |
> |
myOOPSEMinimizer = new PRCGMinimizer(&(info[i]), the_ff, param); |
| 1775 |
|
} |
| 1776 |
+ |
info[i].the_integrator = myOOPSEMinimizer; |
| 1777 |
|
|
| 1778 |
|
//store the minimizer into simInfo |
| 1779 |
|
info[i].the_minimizer = myOOPSEMinimizer; |
