Classes | |
| struct | LatticeGradient |
| Vector-space entry for lattice minimization (stress and forces): More... | |
| class | LatticeMinimizer |
| Lattice minimizer. More... | |
Functions | |
| void | axpy (double alpha, const LatticeGradient &x, LatticeGradient &y) |
| accumulate operation: Y += alpha*X | |
| double | dot (const LatticeGradient &x, const LatticeGradient &y) |
| inner product | |
| LatticeGradient | clone (const LatticeGradient &x) |
| create a copy | |
| void | randomize (LatticeGradient &x) |
| initialize with random numbers | |
Class LatticeMinimizer and related definitions