BB_shell_mixed_integrals_mod.f90 File Reference
Data Types | |
| type | BB_shell_mixed_integrals_gbl::BB_shell_integrals_obj |
| Object that can be used to evaluate the (BB|BB) and the mixed BTO/CGTO 2-electron integrals (BG|GG). This object can only be used once the grid_r1_r2 from grid_mod has been initialized. More... | |
Modules | |
| module | BB_shell_mixed_integrals_gbl |
Variables | |
| type(couplings_type) | BB_shell_mixed_integrals_gbl::cpl |
| Used to evaluate various coupling coefficients. PRIVATE FOR ALL THREADS. | |
Generated on for GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis by
1.14.0