C-code

c/, c/blas.c, c/fftw.c, c/mpi.c, c/elpa.c, c/blacs.c, c/xc/libxc.c, …

  • c/transformers.c: multi-grid transformations

  • c/operators.c: finite-difference stencils

  • c/lcao.c: \(\langle\phi_\mu|\tilde v|\phi_\nu\rangle\)

  • c/lfc.c: \(f(|\mathbf{r}_{ijk}-\mathbf{R}^a|)Y_{lm}(\mathbf{r}_{ijk}-\mathbf{R}^a)\) (localized functions collection)

Warning

The C-code typically gets a pointer to the first element of an np.ndarray. Run in debug-mode (python -d ...) to check memory layout and data type!