Searched refs:rel_trans_atom (Results 1 – 8 of 8) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_core_hamiltonian.F | 103 rel_trans_atom 363 IF (qs_env%rel_control%rel_transformation == rel_trans_atom) THEN
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H A D | input_constants.F | 579 rel_trans_atom = 2 variable
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H A D | qs_environment.F | 99 do_qmmm_swave, general_roks, kg_tnadd_embed_ri, rel_none, rel_trans_atom, & 465 IF (rel_control%rel_transformation == rel_trans_atom) THEN
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H A D | input_cp2k_dft.F | 85 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/), &
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_core_hamiltonian.F | 103 rel_trans_atom 365 IF (qs_env%rel_control%rel_transformation == rel_trans_atom) THEN
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H A D | input_constants.F | 576 rel_trans_atom = 2 variable
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H A D | qs_environment.F | 96 do_qmmm_swave, general_roks, kg_tnadd_embed_ri, rel_none, rel_trans_atom, & 449 IF (rel_control%rel_transformation == rel_trans_atom) THEN
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H A D | input_cp2k_dft.F | 84 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/), &
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