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GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis 111
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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) |