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cp2k/tests/xTB/regtest-debug
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Juerg Hutter 467dd45610
Native implementation for xTB spin polarisation (#5611)
2026-07-22 09:57:20 +02:00
..
ch2o_t01.inp Format all input files 2023-12-18 22:41:19 +01:00
ch2o_t02.inp Format all input files 2023-12-18 22:41:19 +01:00
ch2o_t03.inp Format all input files 2023-12-18 22:41:19 +01:00
ch2o_t04.inp Format all input files 2023-12-18 22:41:19 +01:00
ch2o_t05.inp Format all input files 2023-12-18 22:41:19 +01:00
ch2o_t06.inp Format all input files 2023-12-18 22:41:19 +01:00
ch2o_t07.inp Format all input files 2023-12-18 22:41:19 +01:00
ch2o_t08.inp Format all input files 2023-12-18 22:41:19 +01:00
ch2o_t09.inp Format all input files 2023-12-18 22:41:19 +01:00
ch2o_t10.inp Improve DFTB/xTB stress handling, k-point reductions, and UKS coverage (#5144) 2026-05-07 23:01:43 +02:00
ch2o_t11.inp Native implementation for xTB spin polarisation (#5611) 2026-07-22 09:57:20 +02:00
ch3br_atprop_nonbond.inp gfn0-xTB and parallel DFT-D4 (#3765) 2024-11-08 17:48:34 +01:00
ch3br_nonbond.inp Format all input files 2023-12-18 22:41:19 +01:00
ch3br_nonbond_2.inp Format all input files 2023-12-18 22:41:19 +01:00
h2o-atprop_nonbonded.inp gfn0-xTB and parallel DFT-D4 (#3765) 2024-11-08 17:48:34 +01:00
TEST_FILES.toml Native implementation for xTB spin polarisation (#5611) 2026-07-22 09:57:20 +02:00