56 |
|
#include "applications/staticProps/GofAngle2.hpp" |
57 |
|
#include "applications/staticProps/GofXyz.hpp" |
58 |
|
#include "applications/staticProps/P2OrderParameter.hpp" |
59 |
+ |
#include "applications/staticProps/RippleOP.hpp" |
60 |
|
#include "applications/staticProps/SCDOrderParameter.hpp" |
61 |
|
#include "applications/staticProps/DensityPlot.hpp" |
62 |
|
#include "applications/staticProps/RhoZ.hpp" |
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 |
|
} 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); |