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#include "applications/dynamicProps/RCorrFunc.hpp" |
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#include "applications/dynamicProps/VCorrFunc.hpp" |
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#include "applications/dynamicProps/LegendreCorrFunc.hpp" |
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#include "applications/dynamicProps/LegendreCorrFuncZ.hpp" |
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#include "applications/dynamicProps/RadialRCorrFunc.hpp" |
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#include "applications/dynamicProps/ThetaCorrFunc.hpp" |
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#include "applications/dynamicProps/DirectionalRCorrFunc.hpp" |
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#include "applications/dynamicProps/StressCorrFunc.hpp" |
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#include "applications/dynamicProps/SystemDipoleCorrFunc.hpp" |
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#include "applications/dynamicProps/MomentumCorrFunc.hpp" |
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#include "applications/dynamicProps/cOHz.hpp" |
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|
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using namespace OpenMD; |
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|
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order = args_info.order_arg; |
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else { |
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sprintf( painCave.errMsg, |
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< |
"--order must be set if --lcoor is set\n"); |
154 |
> |
"--order must be set if --lcorr is set\n"); |
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painCave.severity = OPENMD_ERROR; |
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painCave.isFatal = 1; |
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simError(); |
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} |
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|
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corrFunc = new LegendreCorrFunc(info, dumpFileName, sele1, sele2, order, memSize); |
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} else if (args_info.lcorrZ_given) { |
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int order; |
163 |
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if (args_info.order_given) |
164 |
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order = args_info.order_arg; |
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else { |
166 |
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sprintf( painCave.errMsg, |
167 |
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"--order must be set if --lcorrZ is set\n"); |
168 |
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painCave.severity = OPENMD_ERROR; |
169 |
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painCave.isFatal = 1; |
170 |
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simError(); |
171 |
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} |
172 |
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|
173 |
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corrFunc = new LegendreCorrFuncZ(info, dumpFileName, sele1, sele2, order, args_info.nzbins_arg, memSize); |
174 |
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|
175 |
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} else if (args_info.cohZ_given) { |
176 |
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int order; |
177 |
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if (args_info.order_given) |
178 |
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order = args_info.order_arg; |
179 |
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else { |
180 |
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sprintf( painCave.errMsg, |
181 |
+ |
"--order must be set if --cohZ is set\n"); |
182 |
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painCave.severity = OPENMD_ERROR; |
183 |
+ |
painCave.isFatal = 1; |
184 |
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simError(); |
185 |
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} |
186 |
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|
187 |
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corrFunc = new COHZ(info, dumpFileName, sele1, sele2, order, args_info.nzbins_arg, memSize); |
188 |
+ |
|
189 |
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} |
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|
191 |
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|
192 |
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|
193 |
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if (args_info.output_given) { |
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corrFunc->setOutputName(args_info.output_arg); |
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} |