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QuantumPackage/plugins/local/bi_ortho_mos/EZFIO.cfg

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299 B
INI

[mo_r_coef]
type: double precision
doc: right-coefficient of the i-th |AO| on the j-th |MO|
interface: ezfio
size: (ao_basis.ao_num,mo_basis.mo_num)
[mo_l_coef]
type: double precision
doc: right-coefficient of the i-th |AO| on the j-th |MO|
interface: ezfio
size: (ao_basis.ao_num,mo_basis.mo_num)