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cp2k/tests/SIRIUS/regtest-1
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Dynamics of Condensed Matter 099792108e
Add conservative AUTO default for cell canonicalization (#5318) 
Co-authored-by: Thomas D. Kuehne <tkuehne@cp2k.org>
2026-05-30 20:11:58 +02:00
..
Au-sp_r.upf.json GTH pp interface to Sirius (#98) 2018-11-15 13:48:52 +01:00
Au.inp Add conservative AUTO default for cell canonicalization (#5318) 2026-05-30 20:11:58 +02:00
Au_GTH.inp Format all input files 2023-12-18 22:41:19 +01:00
Au_GTH_SOC.inp Add conservative AUTO default for cell canonicalization (#5318) 2026-05-30 20:11:58 +02:00
F.pz-n-kjpaw_psl.0.1.UPF.json SIRIUS: Update to version 6.4.1, add stress tensor, SpFFT, and more tests. 2019-11-01 15:43:27 +01:00
Fe-upf.inp Tests: Speedup SIRIUS/regtest-1/Fe-upf.inp 2025-05-07 13:47:19 +02:00
Fe.inp Format all input files 2023-12-18 22:41:19 +01:00
Fe.pbe-spn-kjpaw_psl.0.2.1.UPF [ SIRIUS ] Update to the latest version. 2024-09-12 09:42:32 +02:00
Fe.pbe-spn-rrkjus_psl.0.2.1.UPF.json GTH pp interface to Sirius (#98) 2018-11-15 13:48:52 +01:00
Fe_dos.inp Format all input files 2023-12-18 22:41:19 +01:00
He-full-potential.inp [regtests] Updated sirius full potential test 2024-09-12 09:42:32 +02:00
He.json SIRIUS: Update to version 6.4.1, add stress tensor, SpFFT, and more tests. 2019-11-01 15:43:27 +01:00
Li.pz-s-kjpaw_psl.0.2.1.UPF.json SIRIUS: Update to version 6.4.1, add stress tensor, SpFFT, and more tests. 2019-11-01 15:43:27 +01:00
LiF.inp Format all input files 2023-12-18 22:41:19 +01:00
N2.inp Fix uninitialized variable (#3261) 2024-02-08 10:26:10 +01:00
ni_lda_v1.4.uspp.F.UPF.json SIRIUS: Update to version 6.4.1, add stress tensor, SpFFT, and more tests. 2019-11-01 15:43:27 +01:00
NiO.inp Format all input files 2023-12-18 22:41:19 +01:00
o_lda_v1.2.uspp.F.UPF.json SIRIUS: Update to version 6.4.1, add stress tensor, SpFFT, and more tests. 2019-11-01 15:43:27 +01:00
sr_lda_v1.uspp.F.UPF.json SIRIUS: Update to version 6.4.1, add stress tensor, SpFFT, and more tests. 2019-11-01 15:43:27 +01:00
SrVO.inp Format all input files 2023-12-18 22:41:19 +01:00
TEST_FILES.toml Canonicalize general input cells consistently (#5307) 2026-05-28 00:09:27 +02:00
v_lda_v1.4.uspp.F.UPF.json SIRIUS: Update to version 6.4.1, add stress tensor, SpFFT, and more tests. 2019-11-01 15:43:27 +01:00