comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-29 06:35:28 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions
cp2k/tests/DFTB/regtest-scc-2
History
Exact
Dynamics of Condensed Matter 97cfbf5b46
Fix Bloch phases for fully symmetry-reduced k-point grids (#5581) 
Co-authored-by: Thomas D. Kuehne <tkuehne@cp2k.org>
2026-07-13 19:41:54 +02:00
..
base.inp Format all input files 2023-12-18 22:41:19 +01:00
base1.inp Format all input files 2023-12-18 22:41:19 +01:00
base2.inp Format all input files 2023-12-18 22:41:19 +01:00
base3.inp Format all input files 2023-12-18 22:41:19 +01:00
dftb3_h2o_direct_stress.inp Improve DFTB/xTB stress handling, k-point reductions, and UKS coverage (#5144) 2026-05-07 23:01:43 +02:00
dftb3_h2o_force.inp Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
dftb3_h2o_gamma_stress.inp Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
dftb3_h2o_kp_force.inp Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
dftb3_h2o_kp_spglib_backend_force.inp Improve DFTB/xTB stress handling, k-point reductions, and UKS coverage (#5144) 2026-05-07 23:01:43 +02:00
dftb3_h2o_kp_spglib_backend_stress.inp Improve DFTB/xTB stress handling, k-point reductions, and UKS coverage (#5144) 2026-05-07 23:01:43 +02:00
dftb3_h2o_kp_stress.inp Fix TB gradients, virials, and k-point symmetry 2026-05-06 00:47:46 +02:00
dftb3_h2o_ls.inp Improve TB/xTB SCC mixer handling for LS_SCF and UKS k-point cases (#5182) 2026-05-13 20:06:09 +02:00
dftb3_h2o_uks_force.inp Improve DFTB/xTB stress handling, k-point reductions, and UKS coverage (#5144) 2026-05-07 23:01:43 +02:00
dftb3_h2o_x_direct_kp_debug.inp Expand TB force/stress coverage and improve GFN2/tblite k-point stress of remaining pathological cases (#5155) 2026-05-08 21:05:08 +02:00
dftb3_h2o_yz_direct_kp_debug.inp Improve DFTB/xTB stress handling, k-point reductions, and UKS coverage (#5144) 2026-05-07 23:01:43 +02:00
dftb3_o2_uks_ls.inp Improve TB/xTB SCC mixer handling for LS_SCF and UKS k-point cases (#5182) 2026-05-13 20:06:09 +02:00
str1.inp Format all input files 2023-12-18 22:41:19 +01:00
str2.inp Format all input files 2023-12-18 22:41:19 +01:00
str3.inp Format all input files 2023-12-18 22:41:19 +01:00
TEST_FILES.toml Fix Bloch phases for fully symmetry-reduced k-point grids (#5581) 2026-07-13 19:41:54 +02:00