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cp2k/tests/xTB/regtest-tblite-gfn1-periodic
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SY Wang bbbecc6f4e
TBlite: add v0.6.0, CMake only [Spack] (#5214)
2026-05-16 20:06:18 +02:00
..
CH2O_gfn1.inp Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
COBe_gfn1_fd.inp Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
Si_gfn1_fd.inp Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
Si_gfn1_kp.inp Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
Si_gfn1_kp_kpsym.inp Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
Si_gfn1_kp_spglib_backend.inp Improve DFTB/xTB stress handling, k-point reductions, and UKS coverage (#5144) 2026-05-07 23:01:43 +02:00
TEST_FILES.toml TBlite: add v0.6.0, CMake only [Spack] (#5214) 2026-05-16 20:06:18 +02:00