| 1663 |
|
} |
| 1664 |
|
|
| 1665 |
|
theInfo.addProperty(zconsForcePolicy); |
| 1666 |
+ |
|
| 1667 |
+ |
//set zcons gap |
| 1668 |
+ |
DoubleData* zconsGap = new DoubleData(); |
| 1669 |
+ |
zconsGap->setID(ZCONSGAP_ID); |
| 1670 |
+ |
|
| 1671 |
+ |
if (globals->haveZConsGap()){ |
| 1672 |
+ |
zconsGap->setData(globals->getZconsGap()); |
| 1673 |
+ |
theInfo.addProperty(zconsGap); |
| 1674 |
+ |
} |
| 1675 |
|
|
| 1676 |
+ |
//set zcons fixtime |
| 1677 |
+ |
DoubleData* zconsFixtime = new DoubleData(); |
| 1678 |
+ |
zconsFixtime->setID(ZCONSFIXTIME_ID); |
| 1679 |
+ |
|
| 1680 |
+ |
if (globals->haveZConsFixTime()){ |
| 1681 |
+ |
zconsFixtime->setData(globals->getZconsFixtime()); |
| 1682 |
+ |
theInfo.addProperty(zconsFixtime); |
| 1683 |
+ |
} |
| 1684 |
+ |
|
| 1685 |
+ |
|
| 1686 |
|
//Determine the name of ouput file and add it into SimInfo's property list |
| 1687 |
|
//Be careful, do not use inFileName, since it is a pointer which |
| 1688 |
|
//point to a string at master node, and slave nodes do not contain that string |
| 1775 |
|
param->setLineSearchTol(globals->getMinLSTol()); |
| 1776 |
|
} |
| 1777 |
|
|
| 1778 |
< |
strcpy(ensemble, globals->getMinimizer()); |
| 1778 |
> |
strcpy(minimizerName, globals->getMinimizer()); |
| 1779 |
|
|
| 1780 |
|
if (!strcasecmp(minimizerName, "CG")){ |
| 1781 |
|
myOOPSEMinimizer = new PRCGMinimizer(&(info[i]), the_ff, param); |
| 1785 |
|
myOOPSEMinimizer = new SDMinimizer(&(info[i]), the_ff, param); |
| 1786 |
|
} |
| 1787 |
|
else{ |
| 1788 |
< |
info[i].the_integrator = myOOPSEMinimizer; |
| 1788 |
> |
sprintf(painCave.errMsg, |
| 1789 |
> |
"SimSetup error: Unrecognized Minimizer, use Conjugate Gradient \n"); |
| 1790 |
> |
painCave.isFatal = 0; |
| 1791 |
> |
simError(); |
| 1792 |
> |
|
| 1793 |
> |
myOOPSEMinimizer = new PRCGMinimizer(&(info[i]), the_ff, param); |
| 1794 |
|
} |
| 1795 |
+ |
info[i].the_integrator = myOOPSEMinimizer; |
| 1796 |
|
|
| 1797 |
|
//store the minimizer into simInfo |
| 1798 |
|
info[i].the_minimizer = myOOPSEMinimizer; |
