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Searched refs:rel_trans_atom (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_core_hamiltonian.F103 rel_trans_atom
363 IF (qs_env%rel_control%rel_transformation == rel_trans_atom) THEN
H A Dinput_constants.F579 rel_trans_atom = 2 variable
H A Dqs_environment.F99 do_qmmm_swave, general_roks, kg_tnadd_embed_ri, rel_none, rel_trans_atom, &
465 IF (rel_control%rel_transformation == rel_trans_atom) THEN
H A Dinput_cp2k_dft.F85 rel_sczora_mp, rel_trans_atom, rel_trans_full, rel_trans_molecule, rel_zora, &
5001 … usage="transformation (FULL|MOLECULE|ATOM)", default_i_val=rel_trans_atom, &
5003 enum_i_vals=(/rel_trans_full, rel_trans_molecule, rel_trans_atom/), &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_core_hamiltonian.F103 rel_trans_atom
365 IF (qs_env%rel_control%rel_transformation == rel_trans_atom) THEN
H A Dinput_constants.F576 rel_trans_atom = 2 variable
H A Dqs_environment.F96 do_qmmm_swave, general_roks, kg_tnadd_embed_ri, rel_none, rel_trans_atom, &
449 IF (rel_control%rel_transformation == rel_trans_atom) THEN
H A Dinput_cp2k_dft.F84 rel_sczora_mp, rel_trans_atom, rel_trans_full, rel_trans_molecule, rel_zora, &
4801 … usage="transformation (FULL|MOLECULE|ATOM)", default_i_val=rel_trans_atom, &
4803 enum_i_vals=(/rel_trans_full, rel_trans_molecule, rel_trans_atom/), &