1 logical geom_check_handle 2C$Id$ 3 logical geom_disable_zmatrix 4 logical geom_check_cent 5 logical geom_rtdb_load 6 logical geom_rtdb_store 7 logical geom_rtdb_delete 8 logical geom_create 9 logical geom_destroy 10 logical geom_group_set 11 logical geom_cart_set 12 logical geom_cart_get 13 logical geom_cart_get2 14 logical geom_cart_coords_set 15 logical geom_cart_coords_get 16 logical geom_coords_vels_set 17 logical geom_coords_vels_get 18 logical geom_vel_set 19 logical geom_vel_get 20 logical geom_cent_get 21 logical geom_cent_set 22 logical geom_centv_get 23 logical geom_centv_set 24 logical geom_ncent 25 logical geom_ncent_set 26 logical geom_ncent_unique 27 logical geom_cent_tag 28 logical geom_print 29 logical geom_print_xyz 30 logical geom_print_pdb 31 logical geom_print_xyzq 32 logical geom_tag_to_element 33 logical geom_charge_center 34 logical geom_center_of_mass 35 logical geom_center_of_charge 36 logical geom_nuc_charge 37 logical geom_nuc_rep_energy 38 logical geom_verify_coords 39 logical geom_set_user_units 40 logical geom_checksum 41cnew ones 42 logical geom_systype_get 43 logical geom_latang_get 44 logical geom_amatrix_get 45 logical geom_lattice_get 46 logical geom_lattice_set 47 logical geom_bmatrix_get 48 logical geom_amatinv_get 49 logical geom_cart_to_frac 50 logical geom_frac_to_cart 51 logical geom_recipvec_get 52 logical geom_recipang_get 53 logical geom_volume_get 54 logical geom_efield_set 55 logical geom_efield_get 56 logical geom_efc_cart_get 57 logical geom_efc_cart_set 58 logical geom_latvec_get 59 logical geom_include_bqbq 60 logical geom_set_bqbq 61 logical geom_default_charge_with_ecp 62 logical geom_uniquecent_get 63 logical geom_get_user_scale 64 logical geom_get_user_units 65 logical geom_strip_sym 66c 67 logical geom_num_core 68 logical geom_tag_to_default_mass 69 logical geom_atn_to_default_mass 70c 71 logical geom_masses_set 72 logical geom_masses_get 73 logical geom_mass_set 74 logical geom_mass_get 75 logical geom_tag_to_covalent_radius 76c 77 logical geom_atomct_set 78 logical geom_atomct_get 79c 80 logical geom_nucexps_set 81 logical geom_nucexps_get 82 logical geom_nucexp_set 83 logical geom_nucexp_get 84 logical geom_mass_to_invnucexp 85 logical geom_any_finuc 86c 87 logical geom_set_ang2au 88 logical geom_get_ang2au 89 logical geom_set_au2ang 90 logical geom_get_au2ang 91c 92 logical geom_ecp_allset 93 logical geom_ecp_allget 94 logical geom_ecp_set 95 logical geom_ecp_get 96 logical geom_ncent_ecp 97 logical geom_coords_ecp 98 logical geom_any_ecp 99 logical geom_ecp_center_list 100c 101 logical geom_nuc_dipole 102c 103 logical geom_print_distances 104 logical geom_print_angles 105 logical geom_print_dihedrals 106 logical geom_zmt_put_data 107 logical geom_makec1 108 logical geom_freeze 109 logical geom_isbq 110c 111 external geom_disable_zmatrix 112 external geom_zmt_put_data 113 external geom_check_handle 114 external geom_check_cent 115 external geom_rtdb_load 116 external geom_rtdb_store 117 external geom_rtdb_delete 118 external geom_create 119 external geom_destroy 120 external geom_group_set 121 external geom_cart_set 122 external geom_cart_get 123 external geom_cart_get2 124 external geom_cart_coords_set 125 external geom_cart_coords_get 126 external geom_coords_vels_set 127 external geom_coords_vels_get 128 external geom_vel_set 129 external geom_vel_get 130 external geom_cent_get 131 external geom_cent_set 132 external geom_centv_get 133 external geom_centv_set 134 external geom_ncent 135 external geom_ncent_set 136 external geom_ncent_unique 137 external geom_cent_tag 138 external geom_print 139 external geom_print_xyz 140 external geom_print_pdb 141 external geom_print_xyzq 142 external geom_tag_to_element 143 external geom_charge_center 144 external geom_center_of_mass 145 external geom_center_of_charge 146 external geom_nuc_charge 147 external geom_nuc_rep_energy 148 external geom_verify_coords 149 external geom_set_user_units 150cnew ones 151 external geom_systype_get 152 external geom_latang_get 153 external geom_amatrix_get 154 external geom_lattice_get 155 external geom_lattice_set 156 external geom_bmatrix_get 157 external geom_amatinv_get 158 external geom_cart_to_frac 159 external geom_frac_to_cart 160 external geom_recipvec_get 161 external geom_recipang_get 162 external geom_volume_get 163 external geom_uniquecent_get 164c 165 external geom_efc_cart_get 166 external geom_efc_cart_set 167 external geom_efield_set 168 external geom_efield_get 169 external geom_latvec_get 170 external geom_include_bqbq 171 external geom_set_bqbq 172c 173 external geom_num_core 174 external geom_default_charge_with_ecp 175 external geom_tag_to_default_mass 176 external geom_atn_to_default_mass 177c 178 external geom_masses_set 179 external geom_masses_get 180 external geom_mass_set 181 external geom_mass_get 182c 183 external geom_nucexps_set 184 external geom_nucexps_get 185 external geom_nucexp_set 186 external geom_nucexp_get 187 external geom_mass_to_invnucexp 188 external geom_any_finuc 189c 190 external geom_set_ang2au 191 external geom_get_ang2au 192 external geom_set_au2ang 193 external geom_get_au2ang 194c 195 external geom_ecp_allset 196 external geom_ecp_allget 197 external geom_ecp_set 198 external geom_ecp_get 199 external geom_ncent_ecp 200 external geom_coords_ecp 201 external geom_any_ecp 202 external geom_ecp_center_list 203c 204 external geom_nuc_dipole 205c 206 external geom_print_distances 207 external geom_print_angles 208 external geom_print_dihedrals 209c 210 external geom_get_user_scale 211 external geom_get_user_units 212 external geom_checksum 213 external geom_strip_sym 214 external geom_tag_to_covalent_radius 215 external geom_makec1 216 external geom_isbq 217 external geom_freeze 218c 219c external bqs 220c 221 external geom_extbq_on 222 logical geom_extbq_on 223 external geom_extbq_ncenter 224 integer geom_extbq_ncenter 225 external geom_extbq_charge 226 integer geom_extbq_charge 227 external geom_extbq_coord 228 integer geom_extbq_coord 229 230 logical geom_cart_get_charges 231 external geom_cart_get_charges 232