pco_mod.f90 File Reference
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) |
Generated on for GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis by
1.14.0