# Loop over all pairs of atom-type-sym-list and pick out relevant interactions # Whole matrix of atom types is covered, so we don't need to try order permutations variable atom_sym_i index ${kim_atom_type_sym_list} variable atom_type_i loop 10000 label loopi variable atom_sym_j index ${kim_atom_type_sym_list} variable atom_type_j loop 10000 label loopj if "(${atom_sym_i} == Co) && (${atom_sym_j} == Co)" then & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_1} ENTRY" & elif "(${atom_sym_i} == Cr) && (${atom_sym_j} == Cr)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_2} ENTRY" & elif "(${atom_sym_i} == Fe) && (${atom_sym_j} == Fe)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_3} ENTRY" & elif "(${atom_sym_i} == Mn) && (${atom_sym_j} == Mn)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_4} ENTRY" & elif "(${atom_sym_i} == Ni) && (${atom_sym_j} == Ni)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_5} ENTRY" & elif "(${atom_sym_i} == Co) && (${atom_sym_j} == Cr)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_6} ENTRY" & elif "(${atom_sym_i} == Co) && (${atom_sym_j} == Fe)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_7} ENTRY" & elif "(${atom_sym_i} == Co) && (${atom_sym_j} == Mn)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_8} ENTRY" & elif "(${atom_sym_i} == Co) && (${atom_sym_j} == Ni)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_9} ENTRY" & elif "(${atom_sym_i} == Cr) && (${atom_sym_j} == Fe)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_10} ENTRY" & elif "(${atom_sym_i} == Cr) && (${atom_sym_j} == Mn)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_11} ENTRY" & elif "(${atom_sym_i} == Cr) && (${atom_sym_j} == Ni)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_12} ENTRY" & elif "(${atom_sym_i} == Fe) && (${atom_sym_j} == Mn)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_13} ENTRY" & elif "(${atom_sym_i} == Fe) && (${atom_sym_j} == Ni)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_14} ENTRY" & elif "(${atom_sym_i} == Mn) && (${atom_sym_j} == Ni)" & "pair_coeff ${atom_type_i} ${atom_type_j} ${kim_parameter_file_15} ENTRY" next atom_type_j next atom_sym_j jump SELF loopj variable atom_type_j delete next atom_type_i next atom_sym_i jump SELF loopi variable atom_type_i delete