124 |
|
RealType gridX_, gridY_; |
125 |
|
RealType halfBoxX_, halfBoxY_; |
126 |
|
|
127 |
– |
int binNoX, binNoY; |
127 |
|
RealType interpsum, value; |
128 |
|
int ninterp, px, py, newp; |
129 |
< |
int newx, newy, newindex, index; |
129 |
> |
int newindex, index; |
130 |
|
int new_i, new_j, new_index; |
131 |
|
|
132 |
|
RealType freq_x, freq_y, zero_freq_x, zero_freq_y, freq; |
133 |
|
RealType maxfreqx, maxfreqy, maxfreq; |
134 |
|
|
135 |
|
int whichbin; |
137 |
– |
int nMolecules; |
136 |
|
|
137 |
|
std::fill(sum_bin.begin(), sum_bin.end(), 0.0); |
138 |
|
std::fill(avg_bin.begin(), avg_bin.end(), 0.0); |
153 |
|
|
154 |
|
reader.readFrame(istep); |
155 |
|
currentSnapshot_ = info_->getSnapshotManager()->getCurrentSnapshot(); |
158 |
– |
nMolecules = info_->getNGlobalMolecules(); |
156 |
|
|
157 |
|
Mat3x3d hmat = currentSnapshot_->getHmat(); |
158 |
|
|