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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dcp_subsys_methods.F269 small_para_env, sub_atom_index, sub_atom_kind_name, & argument
275 INTEGER, DIMENSION(:), INTENT(in) :: sub_atom_index local
322 nat = SIZE(sub_atom_index)
337 topology%atom_info%r(:, iat) = particles%els(sub_atom_index(iat))%r
H A Dmscfg_methods.F286 … small_para_env=para_env, small_cell=cell, sub_atom_index=atom_index, &
H A Dqmmm_create.F346 small_cell=qm_cell_small, sub_atom_index=qm_atom_index, &
H A Dbsse.F320 … small_para_env=para_env, small_cell=cell, sub_atom_index=atom_index, &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dcp_subsys_methods.F269 small_para_env, sub_atom_index, sub_atom_kind_name, & argument
275 INTEGER, DIMENSION(:), INTENT(in) :: sub_atom_index local
322 nat = SIZE(sub_atom_index)
337 topology%atom_info%r(:, iat) = particles%els(sub_atom_index(iat))%r
H A Dmscfg_methods.F286 … small_para_env=para_env, small_cell=cell, sub_atom_index=atom_index, &
H A Dqmmm_create.F346 small_cell=qm_cell_small, sub_atom_index=qm_atom_index, &
H A Dbsse.F320 … small_para_env=para_env, small_cell=cell, sub_atom_index=atom_index, &