gyration_section (reference) in projects: dports

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Searched refs:gyration_section (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	colvar_methods.F	155 distance_from_path_section, distance_section, frame_section, gyration_section, & local 191 …gyration_section => section_vals_get_subs_vals(colvar_section, "GYRATION_RADIUS", i_rep_section=ic… 226 CALL section_vals_get(gyration_section, explicit=my_subsection(14)) 754 wrk_section => gyration_section 756 CALL colvar_check_points(colvar, gyration_section) 761 CALL section_vals_val_get(gyration_section, "ATOMS", n_rep_val=n_var) 766 CALL section_vals_val_get(gyration_section, "ATOMS", i_rep_val=k, i_vals=iatms) 775 CALL section_vals_val_get(gyration_section, "KINDS", n_rep_val=n_var) 778 CALL section_vals_val_get(gyration_section, "KINDS", i_rep_val=k, c_vals=c_kinds)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	colvar_methods.F	155 distance_from_path_section, distance_section, frame_section, gyration_section, & local 191 …gyration_section => section_vals_get_subs_vals(colvar_section, "GYRATION_RADIUS", i_rep_section=ic… 226 CALL section_vals_get(gyration_section, explicit=my_subsection(14)) 754 wrk_section => gyration_section 756 CALL colvar_check_points(colvar, gyration_section) 761 CALL section_vals_val_get(gyration_section, "ATOMS", n_rep_val=n_var) 766 CALL section_vals_val_get(gyration_section, "ATOMS", i_rep_val=k, i_vals=iatms) 775 CALL section_vals_val_get(gyration_section, "KINDS", n_rep_val=n_var) 778 CALL section_vals_val_get(gyration_section, "KINDS", i_rep_val=k, c_vals=c_kinds)