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; |