| 64 |
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#include "applications/dynamicProps/SystemDipoleCorrFunc.hpp" |
| 65 |
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#include "applications/dynamicProps/MomentumCorrFunc.hpp" |
| 66 |
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#include "applications/dynamicProps/cOHz.hpp" |
| 67 |
+ |
#include "applications/dynamicProps/BondCorrFunc.hpp" |
| 68 |
+ |
#include "applications/dynamicProps/FreqFlucCorrFunc.hpp" |
| 69 |
|
|
| 70 |
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using namespace OpenMD; |
| 71 |
|
|
| 144 |
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corrFunc = new DirectionalRCorrFunc(info, dumpFileName, sele1, sele2, memSize); |
| 145 |
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} else if (args_info.vcorr_given) { |
| 146 |
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corrFunc = new VCorrFunc(info, dumpFileName, sele1, sele2, memSize); |
| 147 |
+ |
} else if (args_info.vcorrZ_given) { |
| 148 |
+ |
corrFunc = new VCorrFuncZ(info, dumpFileName, sele1, sele2, memSize); |
| 149 |
+ |
} else if (args_info.vcorrR_given) { |
| 150 |
+ |
corrFunc = new VCorrFuncR(info, dumpFileName, sele1, sele2, memSize); |
| 151 |
+ |
} else if (args_info.bondcorr_given) { |
| 152 |
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corrFunc = new BondCorrFunc(info, dumpFileName, sele1, memSize); |
| 153 |
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} else if (args_info.helfandEcorr_given){ |
| 154 |
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corrFunc = new EnergyCorrFunc(info, dumpFileName, sele1, sele2, memSize); |
| 155 |
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} else if (args_info.stresscorr_given){ |
| 156 |
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corrFunc = new StressCorrFunc(info, dumpFileName, sele1, sele2, memSize); |
| 157 |
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} else if (args_info.momentum_given){ |
| 158 |
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corrFunc = new MomentumCorrFunc(info, dumpFileName, sele1, sele2, memSize); |
| 159 |
+ |
} else if (args_info.freqfluccorr_given){ |
| 160 |
+ |
corrFunc = new FreqFlucCorrFunc(info, dumpFileName, sele1, sele2, memSize); |
| 161 |
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} else if (args_info.lcorr_given) { |
| 162 |
|
int order; |
| 163 |
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if (args_info.order_given) |