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GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis
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Modules | |
| module | pco_gbl |
| Pseudo-continuum orbitals. | |
Functions/Subroutines | |
| subroutine, public | pco_gbl::generate_PCO_exponents (min_l, max_l, max_num, num_PCOs, alpha0, beta, exponents, thrs) |
| subroutine, public | pco_gbl::rm_cont_gt_pco (thrs, exponents, min_l, max_l, no_cont_exps, max_num, n_c_shells, PCO_exponents, min_PCO_l, max_PCO_l, num_PCOs, max_num_PCOs) |
1.8.20