diff --git a/src/mo_one_e_ints/EZFIO.cfg b/src/mo_one_e_ints/EZFIO.cfg index 79a3b351..23a6008e 100644 --- a/src/mo_one_e_ints/EZFIO.cfg +++ b/src/mo_one_e_ints/EZFIO.cfg @@ -4,6 +4,12 @@ doc: Nucleus-electron integrals in |MO| basis set size: (mo_basis.mo_num,mo_basis.mo_num) interface: ezfio +[mo_integrals_e_n_imag] +type: double precision +doc: Imaginary part of the nucleus-electron integrals in |MO| basis set +size: (mo_basis.mo_num,mo_basis.mo_num) +interface: ezfio + [io_mo_integrals_e_n] type: Disk_access doc: Read/Write |MO| electron-nucleus attraction integrals from/to disk [ Write | Read | None ] @@ -17,6 +23,12 @@ doc: Kinetic energy integrals in |MO| basis set size: (mo_basis.mo_num,mo_basis.mo_num) interface: ezfio +[mo_integrals_kinetic_imag] +type: double precision +doc: Imaginary part of the kinetic energy integrals in |MO| basis set +size: (mo_basis.mo_num,mo_basis.mo_num) +interface: ezfio + [io_mo_integrals_kinetic] type: Disk_access doc: Read/Write |MO| one-electron kinetic integrals from/to disk [ Write | Read | None ] @@ -31,6 +43,12 @@ doc: Pseudopotential integrals in |MO| basis set size: (mo_basis.mo_num,mo_basis.mo_num) interface: ezfio +[mo_integrals_pseudo_imag] +type: double precision +doc: Imaginary part of the pseudopotential integrals in |MO| basis set +size: (mo_basis.mo_num,mo_basis.mo_num) +interface: ezfio + [io_mo_integrals_pseudo] type: Disk_access doc: Read/Write |MO| pseudopotential integrals from/to disk [ Write | Read | None ] @@ -43,6 +61,12 @@ doc: One-electron integrals in |MO| basis set size: (mo_basis.mo_num,mo_basis.mo_num) interface: ezfio +[mo_one_e_integrals_imag] +type: double precision +doc: Imaginary part of the one-electron integrals in |MO| basis set +size: (mo_basis.mo_num,mo_basis.mo_num) +interface: ezfio + [io_mo_one_e_integrals] type: Disk_access doc: Read/Write |MO| one-electron integrals from/to disk [ Write | Read | None ]