do_dkh1_atom (reference) in projects: dports

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Searched refs:do_dkh1_atom (Results 1 – 12 of 12) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	atom_electronic_structure.F	`30 do_analytic, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, do_nonrel_atom, & 220 CASE (do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom) 541 CASE (do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom)`
H A D	atom_output.F	`20 barrier_conf, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, do_nonrel_atom, & 581 CASE (do_dkh1_atom)`
H A D	input_cp2k_atom.F	`18 contracted_gto, do_analytic, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, & 729 do_dkh1_atom, do_dkh2_atom, do_dkh3_atom/), &`
H A D	atom_kind_orbitals.F	`36 barrier_conf, do_analytic, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, & 891 relativistic = do_dkh1_atom 1128 CASE (do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom)`
H A D	atom_operators.F	`26 barrier_conf, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, do_nonrel_atom, & 830 CASE (do_dkh1_atom) 925 CASE (do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom)`
H A D	input_constants.F	`164 do_dkh1_atom = 111, & variable`
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	atom_electronic_structure.F	`30 do_analytic, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, do_nonrel_atom, & 220 CASE (do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom) 541 CASE (do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom)`
H A D	atom_output.F	`20 barrier_conf, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, do_nonrel_atom, & 581 CASE (do_dkh1_atom)`
H A D	input_cp2k_atom.F	`18 contracted_gto, do_analytic, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, & 729 do_dkh1_atom, do_dkh2_atom, do_dkh3_atom/), &`
H A D	atom_kind_orbitals.F	`36 barrier_conf, do_analytic, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, & 891 relativistic = do_dkh1_atom 1128 CASE (do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom)`
H A D	atom_operators.F	`26 barrier_conf, do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom, do_nonrel_atom, & 831 CASE (do_dkh1_atom) 926 CASE (do_dkh0_atom, do_dkh1_atom, do_dkh2_atom, do_dkh3_atom)`
H A D	input_constants.F	`164 do_dkh1_atom = 111, & variable`