cp2k/tests/xTB
Dynamics of Condensed Matter c92cc08b45
Fix TBLITE forces and stress for periodic k-point calculations (#5582)
Co-authored-by: Thomas D. Kuehne <tkuehne@cp2k.org>
2026-07-14 13:37:50 +02:00
..
regtest-1 Fix PBC image phase for k-point WFN extrapolation (#5219) 2026-05-17 18:55:04 +02:00
regtest-2 Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
regtest-3 Nest PDOS controls inside DOS print section and add documentation (#5335) 2026-06-02 11:40:05 +02:00
regtest-3-spglib Fix Bloch phases for fully symmetry-reduced k-point grids (#5581) 2026-07-13 19:41:54 +02:00
regtest-4 Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
regtest-5 Nest PDOS controls inside DOS print section and add documentation (#5335) 2026-06-02 11:40:05 +02:00
regtest-debug Improve DFTB/xTB stress handling, k-point reductions, and UKS coverage (#5144) 2026-05-07 23:01:43 +02:00
regtest-gfn0 Fix Bloch phases for fully symmetry-reduced k-point grids (#5581) 2026-07-13 19:41:54 +02:00
regtest-gfn0-d Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-gfn0-m1 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gfn0-m2 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gfn0-m3 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gfn0-m4 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gfn1-d Fix Bloch phases for fully symmetry-reduced k-point grids (#5581) 2026-07-13 19:41:54 +02:00
regtest-stda Avoid tblite TDDFPT OECORR COULOMB neighborlist crash (#5281) 2026-05-26 00:08:18 +02:00
regtest-stda-force Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
regtest-tblite-gfn1 Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
regtest-tblite-gfn1-grad Fix TBLITE forces and stress for periodic k-point calculations (#5582) 2026-07-14 13:37:50 +02:00
regtest-tblite-gfn1-periodic TBlite: add v0.6.0, CMake only [Spack] (#5214) 2026-05-16 20:06:18 +02:00
regtest-tblite-gfn2 Fix TBLITE forces and stress for periodic k-point calculations (#5582) 2026-07-14 13:37:50 +02:00
regtest-tblite-ipea1 "Make it nice": GFN2-xTB (#5162) 2026-05-10 01:34:44 +02:00