# Loop over all atoms to see which ones we need to include in the EIM pair_coeff command variable kim_atom_sym_i index ${kim_atom_type_sym_list} variable kim_atom_type_sym_list_unique string "" variable kim_seen_Li string false variable kim_seen_Na string false variable kim_seen_K string false variable kim_seen_Rb string false variable kim_seen_Cs string false variable kim_seen_F string false variable kim_seen_Cl string false variable kim_seen_Br string false variable kim_seen_I string false label loopi if "(${kim_atom_sym_i} == Li) && (${kim_seen_Li} == false)" then & """ variable kim_atom_type_sym_list_unique string "${kim_atom_type_sym_list_unique} Li" """ & "variable kim_seen_Li string true" & elif "(${kim_atom_sym_i} == Na) && (${kim_seen_Na} == false)" & """ variable kim_atom_type_sym_list_unique string "${kim_atom_type_sym_list_unique} Na" """ & "variable kim_seen_Na string true" & elif "(${kim_atom_sym_i} == K) && (${kim_seen_K} == false)" & """ variable kim_atom_type_sym_list_unique string "${kim_atom_type_sym_list_unique} K" """ & "variable kim_seen_K string true" & elif "(${kim_atom_sym_i} == Rb) && (${kim_seen_Rb} == false)" & """ variable kim_atom_type_sym_list_unique string "${kim_atom_type_sym_list_unique} Rb" """ & "variable kim_seen_Rb string true" & elif "(${kim_atom_sym_i} == Cs) && (${kim_seen_Cs} == false)" & """ variable kim_atom_type_sym_list_unique string "${kim_atom_type_sym_list_unique} Cs" """ & "variable kim_seen_Cs string true" & elif "(${kim_atom_sym_i} == F) && (${kim_seen_F} == false)" & """ variable kim_atom_type_sym_list_unique string "${kim_atom_type_sym_list_unique} F" """ & "variable kim_seen_F string true" & elif "(${kim_atom_sym_i} == Cl) && (${kim_seen_Cl} == false)" & """ variable kim_atom_type_sym_list_unique string "${kim_atom_type_sym_list_unique} Cl" """ & "variable kim_seen_Cl string true" & elif "(${kim_atom_sym_i} == Br) && (${kim_seen_Br} == false)" & """ variable kim_atom_type_sym_list_unique string "${kim_atom_type_sym_list_unique} Br" """ & "variable kim_seen_Br string true" & elif "(${kim_atom_sym_i} == I) && (${kim_seen_I} == false)" & """ variable kim_atom_type_sym_list_unique string "${kim_atom_type_sym_list_unique} I" """ & "variable kim_seen_I string true" next kim_atom_sym_i jump SELF loopi pair_coeff * * ${kim_atom_type_sym_list_unique} ${kim_parameter_file_1} ${kim_atom_type_sym_list} variable kim_atom_sym_i delete variable kim_atom_type_sym_list_unique delete variable kim_seen_Li delete variable kim_seen_Na delete variable kim_seen_K delete variable kim_seen_Rb delete variable kim_seen_Cs delete variable kim_seen_F delete variable kim_seen_Cl delete variable kim_seen_Br delete variable kim_seen_I delete