[ao_basis] type: character*(256) doc: name of the ao basis interface: ezfio [ao_num] type: integer doc: number of ao interface: ezfio, provider [ao_prim_num] type: integer doc: Number of primitives per atomic orbital size: (ao_basis.ao_num) interface: ezfio, provider [ao_prim_num_max] type: integer doc: number of primitive maximun default: =maxval(ao_basis.ao_prim_num) interface: ezfio [ao_nucl] type: integer doc: Index of the nuclei on which the ao is centered size: (ao_basis.ao_num) interface: ezfio, provider [ao_power] type: integer doc: power for each dimension for each ao_basis size: (ao_basis.ao_num,3) interface: ezfio, provider [ao_coef] type: double precision doc: AO Coefficients, read from input. Those should not be used directly, as the MOs are expressed on the basis of **normalized** AOs. size: (ao_basis.ao_num,ao_basis.ao_prim_num_max) interface: ezfio, provider [ao_expo] type: double precision doc: expo for each primitive of each ao_basis size: (ao_basis.ao_num,ao_basis.ao_prim_num_max) interface: ezfio, provider [ao_md5] type: character*(32) doc: MD5 key characteristic of the AO basis interface: ezfio, provider