75 |
|
" | / / / / / / / /_/ /\\__ \\/ __/ |\n" << |
76 |
|
" | / /_/ / /_/ / ____/___/ / /___ Copyright 2004-2005 by the |\n" << |
77 |
|
" | \\____/\\____/_/ /____/_____/ University of Notre Dame. |\n" << |
78 |
– |
" | http://www.oopse.org |\n" << |
78 |
|
" | |\n" << |
79 |
+ |
" | version " << |
80 |
+ |
OOPSE_VERSION_MAJOR << "." << OOPSE_VERSION_MINOR << "." << OOPSE_VERSION_TINY << |
81 |
+ |
" http://www.oopse.org |\n" << |
82 |
+ |
" | |\n" << |
83 |
|
" | OOPSE is an OpenScience project. All source code is available for |\n" << |
84 |
|
" | any use subject to only one condition: |\n" << |
85 |
|
" | |\n" << |
126 |
|
|
127 |
|
if (myMinimizer == NULL) { |
128 |
|
sprintf(painCave.errMsg, "Minimizer Factory can not create %s Minimizer\n", |
129 |
< |
simParams->getMinimizer()); |
129 |
> |
simParams->getMinimizer().c_str()); |
130 |
|
painCave.isFatal = 1; |
131 |
|
simError(); |
132 |
|
} |
140 |
|
|
141 |
|
if (myIntegrator == NULL) { |
142 |
|
sprintf(painCave.errMsg, "Integrator Factory can not create %s Integrator\n", |
143 |
< |
simParams->getEnsemble()); |
143 |
> |
simParams->getEnsemble().c_str()); |
144 |
|
painCave.isFatal = 1; |
145 |
|
simError(); |
146 |
|
} |
151 |
|
|
152 |
|
|
153 |
|
//Zconstraint-Method |
154 |
< |
if (simParams->haveZconstraints()) { |
155 |
< |
info->setNZconstraint(simParams->getNzConstraints()); |
154 |
> |
if (simParams->haveNZconstraints()) { |
155 |
> |
info->setNZconstraint(simParams->getNZconstraints()); |
156 |
|
ForceManager* fman = new ZconstraintForceManager(info); |
157 |
|
myIntegrator->setForceManager(fman); |
158 |
|
} |
161 |
|
delete myIntegrator; |
162 |
|
}else { |
163 |
|
sprintf(painCave.errMsg, "Integrator Factory can not create %s Integrator\n", |
164 |
< |
simParams->getEnsemble()); |
164 |
> |
simParams->getEnsemble().c_str()); |
165 |
|
painCave.isFatal = 1; |
166 |
|
simError(); |
167 |
|
} |