--- trunk/src/lattice/FCCLattice.cpp 2005/04/12 22:07:45 485 +++ trunk/src/lattice/FCCLattice.cpp 2005/04/15 22:04:00 507 @@ -1,4 +1,4 @@ - /* +/* * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. * * The University of Notre Dame grants you ("Licensee") a @@ -43,59 +43,59 @@ namespace oopse { namespace oopse { -FCCLattice::FCCLattice() : CubicLattice(){ - nCellSites = 4; - cellSitesPos.resize(nCellSites); - cellSitesOrt.resize(nCellSites); - update(); + FCCLattice::FCCLattice() : CubicLattice(){ + nCellSites = 4; + cellSitesPos.resize(nCellSites); + cellSitesOrt.resize(nCellSites); + update(); -} + } -void FCCLattice::update(){ + void FCCLattice::update(){ - double cellLenOver2; - double oneOverRoot3; + double cellLenOver2; + double oneOverRoot3; - cellLenOver2 = 0.5 * latticeParam; - oneOverRoot3 = 1.0 / sqrt(3.0); + cellLenOver2 = 0.5 * latticeParam; + oneOverRoot3 = 1.0 / sqrt(3.0); - // Molecule 1 - cellSitesPos[0][0] = 0.0; - cellSitesPos[0][1] = 0.0; - cellSitesPos[0][2] = 0.0; + // Molecule 1 + cellSitesPos[0][0] = 0.0; + cellSitesPos[0][1] = 0.0; + cellSitesPos[0][2] = 0.0; - cellSitesOrt[0][0] = oneOverRoot3; - cellSitesOrt[0][1] = oneOverRoot3; - cellSitesOrt[0][2] = oneOverRoot3; + cellSitesOrt[0][0] = oneOverRoot3; + cellSitesOrt[0][1] = oneOverRoot3; + cellSitesOrt[0][2] = oneOverRoot3; - // Molecule 2 - cellSitesPos[1][0] = 0.0; - cellSitesPos[1][1] = cellLenOver2; - cellSitesPos[1][2] = cellLenOver2; + // Molecule 2 + cellSitesPos[1][0] = 0.0; + cellSitesPos[1][1] = cellLenOver2; + cellSitesPos[1][2] = cellLenOver2; - cellSitesOrt[1][0] = -oneOverRoot3; - cellSitesOrt[1][1] = oneOverRoot3; - cellSitesOrt[1][2] = -oneOverRoot3; + cellSitesOrt[1][0] = -oneOverRoot3; + cellSitesOrt[1][1] = oneOverRoot3; + cellSitesOrt[1][2] = -oneOverRoot3; - // Molecule 3 - cellSitesPos[2][0] = cellLenOver2; - cellSitesPos[2][1] = cellLenOver2; - cellSitesPos[2][2] = 0.0; + // Molecule 3 + cellSitesPos[2][0] = cellLenOver2; + cellSitesPos[2][1] = cellLenOver2; + cellSitesPos[2][2] = 0.0; - cellSitesOrt[2][0] = oneOverRoot3; - cellSitesOrt[2][1] = -oneOverRoot3; - cellSitesOrt[2][2] = -oneOverRoot3; + cellSitesOrt[2][0] = oneOverRoot3; + cellSitesOrt[2][1] = -oneOverRoot3; + cellSitesOrt[2][2] = -oneOverRoot3; - // Molecule 4 + // Molecule 4 - cellSitesPos[3][0] = cellLenOver2; - cellSitesPos[3][1] = 0.0; - cellSitesPos[3][2] = cellLenOver2; + cellSitesPos[3][0] = cellLenOver2; + cellSitesPos[3][1] = 0.0; + cellSitesPos[3][2] = cellLenOver2; - cellSitesOrt[3][0] = -oneOverRoot3; - cellSitesOrt[3][1] = oneOverRoot3; - cellSitesOrt[3][2] = oneOverRoot3; -} + cellSitesOrt[3][0] = -oneOverRoot3; + cellSitesOrt[3][1] = oneOverRoot3; + cellSitesOrt[3][2] = oneOverRoot3; + } }