quantum_package/plugins/Hartree_Fock_SlaterDressed/EZFIO.cfg

27 lines
557 B
INI

[slater_expo_ezfio]
type: double precision
doc: Exponents of the additional Slater functions
size: (nuclei.nucl_num)
interface: ezfio, provider
[slater_coef_ezfio]
type: double precision
doc: Exponents of the additional Slater functions
size: (nuclei.nucl_num,mo_basis.mo_tot_num)
interface: ezfio, provider
[projector]
type: double precision
doc: Orthogonal AO basis
size: (ao_basis.ao_num,ao_basis.ao_num)
interface: ezfio
[ao_orthoSlaOverlap]
type: double precision
doc: Orthogonal AO basis
size: (ao_basis.ao_num,nuclei.nucl_num)
interface: ezfio