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cp2k/tests/SE
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Matthias Krack db61e8c41f Tag printout of the forces 
- Make bar the default pressure unit like for the MD trajectory file
- Update regression test inputs (reference values and search strings)
2024-11-14 16:09:18 +01:00
..
regtest Format all input files 2023-12-18 22:41:19 +01:00
regtest-2-1 Format all input files 2023-12-18 22:41:19 +01:00
regtest-2-2 gfn0-xTB and parallel DFT-D4 (#3765) 2024-11-08 17:48:34 +01:00
regtest-3-1 Format all input files 2023-12-18 22:41:19 +01:00
regtest-3-2 Format all input files 2023-12-18 22:41:19 +01:00
regtest-3-3 Tag printout of the forces 2024-11-14 16:09:18 +01:00
regtest-3-4 Format all input files 2023-12-18 22:41:19 +01:00
regtest-4 Format all input files 2023-12-18 22:41:19 +01:00
sample_cif Unset executable flag [ci skip] 2019-11-20 14:47:56 +01:00
sample_xtl support for XTL file format (MSI) 2009-05-19 21:10:32 +00:00
sample_xyz Unset executable flag [ci skip] 2019-11-20 14:47:56 +01:00
untested_inputs Format all input files 2023-12-18 22:41:19 +01:00