cp2k/tools/regtesting
Dynamics of Condensed Matter 358cae4de3
Fix Wannier90 k-point export path for symmetry-reconstructed SCF MOs (#5233)
Co-authored-by: Thomas D. Kuehne <tkuehne@cp2k.org>
2026-05-17 22:20:32 +02:00
..
check_inputs.py Move to Python3 2020-05-24 21:28:39 +02:00
compare_wannier90_mmn.py Reuse symmetry-reduced SCF MOs in the Wannier90 k-point export (H. Mirhosseini) 2026-05-17 18:30:20 +02:00
optimize_test_dirs.py fix shebang -> /usr/bin/env python3 2021-11-24 16:09:42 +01:00
prettify_TEST_FILES.py Reformat with black 23.3.0 2023-05-02 12:31:58 +02:00
print_environment.sh Ignore potential error 2023-06-12 10:51:09 +02:00
validate_wannier90_export.py Fix Wannier90 k-point export path for symmetry-reconstructed SCF MOs (#5233) 2026-05-17 22:20:32 +02:00