63 |
|
#include "applications/dynamicProps/StressCorrFunc.hpp" |
64 |
|
#include "applications/dynamicProps/SystemDipoleCorrFunc.hpp" |
65 |
|
#include "applications/dynamicProps/MomentumCorrFunc.hpp" |
66 |
+ |
#include "applications/dynamicProps/cOHz.hpp" |
67 |
|
|
68 |
|
using namespace OpenMD; |
69 |
|
|
172 |
|
|
173 |
|
corrFunc = new LegendreCorrFuncZ(info, dumpFileName, sele1, sele2, order, args_info.nzbins_arg, memSize); |
174 |
|
|
175 |
+ |
} else if (args_info.cohZ_given) { |
176 |
+ |
int order; |
177 |
+ |
if (args_info.order_given) |
178 |
+ |
order = args_info.order_arg; |
179 |
+ |
else { |
180 |
+ |
sprintf( painCave.errMsg, |
181 |
+ |
"--order must be set if --cohZ is set\n"); |
182 |
+ |
painCave.severity = OPENMD_ERROR; |
183 |
+ |
painCave.isFatal = 1; |
184 |
+ |
simError(); |
185 |
+ |
} |
186 |
+ |
|
187 |
+ |
corrFunc = new COHZ(info, dumpFileName, sele1, sele2, order, args_info.nzbins_arg, memSize); |
188 |
+ |
|
189 |
|
} |
190 |
|
|
191 |
+ |
|
192 |
+ |
|
193 |
|
if (args_info.output_given) { |
194 |
|
corrFunc->setOutputName(args_info.output_arg); |
195 |
|
} |