GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis 111
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molecular_basis_mod.f90 File Reference

Data Types

type  molecular_basis_gbl::molecular_orbital_basis_obj
module  molecular_basis_gbl::sym_ortho_io
 This data structure is used for input/output by the method orthogonalize of the molecular_orbital_basis_obj. More...

Modules

module  molecular_basis_gbl

Functions/Subroutines

integer function molecular_basis_gbl::init (this, n, geometry)