| 146 |
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| 147 |
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| 148 |
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int Lattice::createOrthorhombicLattice(double latticeParameters[3]){ |
| 149 |
< |
double cell2; |
| 149 |
> |
double cellx2, celly2, cellz2; |
| 150 |
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double rroot3; |
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|
| 152 |
< |
cellLengthX = latticeParameter[0]; |
| 153 |
< |
cellLengthY = latticeParameter[1]; |
| 154 |
< |
cellLengthZ = latticeParameter[2]; |
| 152 |
> |
cellLengthX = latticeParameters[0]; |
| 153 |
> |
cellLengthY = latticeParameters[1]; |
| 154 |
> |
cellLengthZ = latticeParameters[2]; |
| 155 |
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|
| 156 |
< |
cellx2 = 0.5 * latticeParameter[0]; |
| 157 |
< |
cellx2 = 0.5 * latticeParameter[1]; |
| 158 |
< |
cellx2 = 0.5 * latticeParameter[2]; |
| 156 |
> |
cellx2 = 0.5 * latticeParameters[0]; |
| 157 |
> |
celly2 = 0.5 * latticeParameters[1]; |
| 158 |
> |
cellz2 = 0.5 * latticeParameters[2]; |
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rroot3 = 1.0 / sqrt(3.0); |
| 160 |
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| 161 |
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nCellSites = 4; |