48 |
|
|
49 |
|
for( int i=0;i < nCellSites;i++){ |
50 |
|
|
51 |
< |
latticePos[i][0] = origin[0] + cellSitesPos[i][0] + cellLen[0] * (double(nx) - 0.5); |
52 |
< |
latticePos[i][1] = origin[1] + cellSitesPos[i][1] + cellLen[1] * (double(ny) - 0.5); |
53 |
< |
latticePos[i][2] = origin[2] + cellSitesPos[i][2] + cellLen[2] * (double(nz) - 0.5); |
51 |
> |
latticePos[i][0] = origin[0] + cellSitesPos[i][0] + cellLen[0] * (RealType(nx) - 0.5); |
52 |
> |
latticePos[i][1] = origin[1] + cellSitesPos[i][1] + cellLen[1] * (RealType(ny) - 0.5); |
53 |
> |
latticePos[i][2] = origin[2] + cellSitesPos[i][2] + cellLen[2] * (RealType(nz) - 0.5); |
54 |
|
} |
55 |
|
|
56 |
|
} |