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#include "BaseLattice.hpp" |
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void BaseLattice::getLatticePoints(vector<double>& latticePosX, vector<double>& latticePosY, vector<double>& latticePosZ, |
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int nx, int ny, int nz){ |
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void BaseLattice::getLatticePoints(vector<Vector3d>& latticePos, int nx, int ny, int nz){ |
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latticePos.resize(nCellSites); |
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for( int i=0;i < nCellSites;i++){ |
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latticePosX[i] = startX + thisUnitCell.sx[i] + cellLengthX * (double( ix ) - 0.5); |
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latticePosY[i] = startY + thisUnitCell.sy[i] + cellLengthY * (double( iy ) - 0.5); |
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latticePosZ[i] = startZ + thisUnitCell.sz[i] + cellLengthZ * (double( iz ) - 0.5); |
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latticePos[i].x = origin.x + cellSitesPos[i].x + cellLen.x * (double(nx) - 0.5); |
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latticePos[i].y = origin.y + cellSitesPos[i].y + cellLen.y * (double(ny) - 0.5); |
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latticePos[i].z = origin.z + cellSitesPos[i].z + cellLen.z * (double(nz) - 0.5); |
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} |
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} |
