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!