- pdbatoms->pdbinfo[aid].uij[U11] = 1e6*U[i][XX*DIM + XX];
- pdbatoms->pdbinfo[aid].uij[U22] = 1e6*U[i][YY*DIM + YY];
- pdbatoms->pdbinfo[aid].uij[U33] = 1e6*U[i][ZZ*DIM + ZZ];
- pdbatoms->pdbinfo[aid].uij[U12] = 1e6*U[i][XX*DIM + YY];
- pdbatoms->pdbinfo[aid].uij[U13] = 1e6*U[i][XX*DIM + ZZ];
- pdbatoms->pdbinfo[aid].uij[U23] = 1e6*U[i][YY*DIM + ZZ];
+ pdbatoms->pdbinfo[aid].uij[U11] = static_cast<int>(1e6*U[i][XX*DIM + XX]);
+ pdbatoms->pdbinfo[aid].uij[U22] = static_cast<int>(1e6*U[i][YY*DIM + YY]);
+ pdbatoms->pdbinfo[aid].uij[U33] = static_cast<int>(1e6*U[i][ZZ*DIM + ZZ]);
+ pdbatoms->pdbinfo[aid].uij[U12] = static_cast<int>(1e6*U[i][XX*DIM + YY]);
+ pdbatoms->pdbinfo[aid].uij[U13] = static_cast<int>(1e6*U[i][XX*DIM + ZZ]);
+ pdbatoms->pdbinfo[aid].uij[U23] = static_cast<int>(1e6*U[i][YY*DIM + ZZ]);