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cp2k/tests/QS/regtest-ecp-2
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Juerg Hutter fa01f37413
Bug fix for initial guess with ECP potentials (#4343)
2025-07-24 18:09:30 +02:00
..
ECP_BASIS_POT ECP nuclear gradients 2024-01-11 10:26:31 +01:00
ICl_lanl2dz_gpw.inp ECP nuclear gradients 2024-01-11 10:26:31 +01:00
Rn_stuttgart_gapw.inp ECP nuclear gradients 2024-01-11 10:26:31 +01:00
SbH3_def2_gapw.inp ECP nuclear gradients 2024-01-11 10:26:31 +01:00
TEST_FILES.toml Bug fix for initial guess with ECP potentials (#4343) 2025-07-24 18:09:30 +02:00