56 |
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#include "applications/staticProps/GofAngle2.hpp" |
57 |
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#include "applications/staticProps/GofXyz.hpp" |
58 |
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#include "applications/staticProps/P2OrderParameter.hpp" |
59 |
+ |
#include "applications/staticProps/RippleOP.hpp" |
60 |
|
#include "applications/staticProps/SCDOrderParameter.hpp" |
61 |
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#include "applications/staticProps/DensityPlot.hpp" |
62 |
|
#include "applications/staticProps/RhoZ.hpp" |
63 |
+ |
#if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H) |
64 |
|
#include "applications/staticProps/Hxy.hpp" |
65 |
+ |
#endif |
66 |
|
|
67 |
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using namespace oopse; |
68 |
|
|
149 |
|
SimCreator creator; |
150 |
|
SimInfo* info = creator.createSim(mdFileName); |
151 |
|
|
152 |
< |
double maxLen; |
152 |
> |
RealType maxLen; |
153 |
|
if (args_info.length_given) { |
154 |
|
maxLen = args_info.length_arg; |
155 |
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} else { |
178 |
|
} |
179 |
|
} else if (args_info.p2_given) { |
180 |
|
analyser = new P2OrderParameter(info, dumpFileName, sele1, sele2); |
181 |
< |
} else if (args_info.scd_given) { |
181 |
> |
} else if (args_info.rp2_given){ |
182 |
> |
analyser = new RippleOP(info, dumpFileName, sele1, sele2); |
183 |
> |
}else if (args_info.scd_given) { |
184 |
|
if (batchMode) { |
185 |
|
analyser = new SCDOrderParameter(info, dumpFileName, args_info.molname_arg, |
186 |
|
args_info.begin_arg, args_info.end_arg); |
193 |
|
} else if (args_info.slab_density_given) { |
194 |
|
Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat(); |
195 |
|
analyser = new RhoZ(info, dumpFileName, sele1, hmat(2, 2), args_info.nrbins_arg); |
196 |
+ |
#if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H) |
197 |
|
}else if (args_info.hxy_given) { |
198 |
< |
analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg, args_info.nbins_y_arg, args_info.nrbins_arg); |
198 |
> |
analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg, args_info.nbins_y_arg, args_info.nrbins_arg); |
199 |
> |
#endif |
200 |
|
} |
201 |
|
|
202 |
|
if (args_info.output_given) { |