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Searched refs:xtb_set_kab (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dxtb_parameters.F169 xtb_set_kab
550 FUNCTION xtb_set_kab(za, zb, xtb_control) RESULT(kab) function
632 END FUNCTION xtb_set_kab
H A Dxtb_matrices.F87 USE xtb_parameters, ONLY: xtb_set_kab
364 kab = xtb_set_kab(za, zb, xtb_control)
H A Dqs_kind_types.F102 USE xtb_parameters, ONLY: xtb_set_kab
2612 " Kab:", TRIM(aname), TRIM(bname), xtb_set_kab(za, zb, xtb_control)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dxtb_parameters.F168 xtb_set_kab
548 FUNCTION xtb_set_kab(za, zb) RESULT(kab) function
611 END FUNCTION xtb_set_kab
H A Dxtb_matrices.F87 USE xtb_parameters, ONLY: xtb_set_kab
363 kab = xtb_set_kab(za, zb)
H A Dqs_kind_types.F101 USE xtb_parameters, ONLY: xtb_set_kab
2622 " Kab:", TRIM(aname), TRIM(bname), xtb_set_kab(za, zb)