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root/group/trunk/OOPSE-4/src/applications/staticProps/Hxy.cpp
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Comparing trunk/OOPSE-4/src/applications/staticProps/Hxy.cpp (file contents):
Revision 2763 by xsun, Mon May 22 15:30:42 2006 UTC vs.
Revision 2765 by xsun, Tue May 23 21:12:45 2006 UTC

# Line 44 | Line 44
44   *
45   *  Created by Xiuquan Sun on 05/09/06.
46   *  @author  Xiuquan Sun
47 < *  @version $Id: Hxy.cpp,v 1.5 2006-05-22 15:30:42 xsun Exp $
47 > *  @version $Id: Hxy.cpp,v 1.6 2006-05-23 21:12:45 xsun Exp $
48   *
49   */
50  
# Line 139 | Line 139 | namespace oopse {
139      int whichbin;
140      int nMolecules;
141  
142 +    std::fill(sum_bin.begin(), sum_bin.end(), 0.0);
143 +    std::fill(avg_bin.begin(), avg_bin.end(), 0.0);
144 +    std::fill(errbin_sum.begin(), errbin_sum.end(), 0.0);
145 +    std::fill(errbin.begin(), errbin.end(), 0.0);
146 +    std::fill(sum_bin_sq.begin(), sum_bin_sq.end(), 0.0);
147 +    std::fill(avg_bin_sq.begin(), avg_bin_sq.end(), 0.0);
148 +    std::fill(errbin_sum_sq.begin(), errbin_sum_sq.end(), 0.0);
149 +    std::fill(errbin_sq.begin(), errbin_sq.end(), 0.0);
150 +    
151 +    for(int i=0; i < bin.size(); i++)
152 +      std::fill(bin[i].begin(), bin[i].end(), 0.0);
153 +    
154 +    for(int i=0; i < samples.size(); i++)
155 +      std::fill(samples[i].begin(), samples[i].end(), 0);
156 +    
157      for (int istep = 0; istep < nFrames; istep += step_) {
158        
159        reader.readFrame(istep);
# Line 163 | Line 178 | namespace oopse {
178   #else
179        p = fftw2d_create_plan(nBinsX_, nBinsY_, FFTW_FORWARD, FFTW_ESTIMATE);
180   #endif
181 <      
167 <      int i, j;  
168 <      
181 >
182        std::fill(gridsample_.begin(), gridsample_.end(), 0);
183        std::fill(gridZ_.begin(), gridZ_.end(), 0.0);
171      std::fill(sum_bin.begin(), sum_bin.end(), 0.0);
172      std::fill(avg_bin.begin(), avg_bin.end(), 0.0);
173      std::fill(errbin_sum.begin(), errbin_sum.end(), 0.0);
174      std::fill(errbin.begin(), errbin.end(), 0.0);
175      std::fill(sum_bin_sq.begin(), sum_bin_sq.end(), 0.0);
176      std::fill(avg_bin_sq.begin(), avg_bin_sq.end(), 0.0);
177      std::fill(errbin_sum_sq.begin(), errbin_sum_sq.end(), 0.0);
178      std::fill(errbin_sq.begin(), errbin_sq.end(), 0.0);
184        std::fill(mag.begin(), mag.end(), 0.0);
185        std::fill(newmag.begin(), newmag.end(), 0.0);
186  
187 <      for(i=0; i < bin.size(); i++)
183 <        std::fill(bin[i].begin(), bin[i].end(), 0.0);
184 <
185 <      for(i=0; i < samples.size(); i++)
186 <        std::fill(samples[i].begin(), samples[i].end(), 0);
187 >      int i, j;  
188        
189        StuntDouble* sd;
190        
# Line 387 | Line 388 | namespace oopse {
388        
389        for ( i = 0; i < nbins_; i++) {
390          if ( samples[i][istep] > 0) {
391 <          bin[i][istep] = 4.0 * sqrt(bin[i][istep] / (RealType)samples[i][istep]) / (RealType)nMolecules;
391 >          bin[i][istep] = 4.0 * sqrt(bin[i][istep] / (RealType)samples[i][istep]) / (RealType)nBinsX_ / (RealType)nBinsY_;
392          }
393        }    
394      }

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