--- trunk/OOPSE-1.0/utils/sysbuilder/BaseLattice.cpp 2004/07/28 04:58:20 1423 +++ trunk/OOPSE-1.0/utils/sysbuilder/BaseLattice.cpp 2004/07/28 20:29:49 1429 @@ -1,13 +1,13 @@ #include "BaseLattice.hpp" -void BaseLattice::getLatticePoints(vector& latticePosX, vector& latticePosY, vector& latticePosZ, - int nx, int ny, int nz){ +void BaseLattice::getLatticePointsPos(vector& latticePos, int nx, int ny, int nz){ + + latticePos.resize(nCellSites); for( int i=0;i < nCellSites;i++){ - - latticePosX[i] = startX + thisUnitCell.sx[i] + cellLengthX * (double( ix ) - 0.5); - latticePosY[i] = startY + thisUnitCell.sy[i] + cellLengthY * (double( iy ) - 0.5); - latticePosZ[i] = startZ + thisUnitCell.sz[i] + cellLengthZ * (double( iz ) - 0.5); - + + latticePos[i].x = origin.x + cellSitesPos[i].x + cellLen.x * (double(nx) - 0.5); + latticePos[i].y = origin.y + cellSitesPos[i].y + cellLen.y * (double(ny) - 0.5); + latticePos[i].z = origin.z + cellSitesPos[i].z + cellLen.z * (double(nz) - 0.5); } }