[feat] configurable QE executables with core mapping support - #131

Merged

the-hampel merged 7 commits into

TRIQS:unstablefrom

hmenke:dft_exec

Jul 1, 2026

Commits on Jul 1, 2026

[feat] configurable QE executables with core mapping support

hmenke
authored and
the-hampel
committed
aaf03e8
add doc for new dft_exec dict feature and add some protection against invalid keys
the-hampel
committed
c24b894
allow to read env vars for qe_exec or use number_cores from the toml
the-hampel
committed
9b2b75f
[doc] update to Ce2O3 QE CSC tutorial
the-hampel
committed
c44d8a3
[doc] use newly available h_int_basis=qe tag
the-hampel
committed
83c08e3
[doc] Ce2O3 tutorial: use natural W90 f-orbital order with h_int_basis=qe
the-hampel
committed
ee5c886
[doc] document env-var substitution in dft_exec commands
the-hampel
committed
73aca8e