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OpenCAP
Electronic structure of metastable states
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This is the complete list of members for BasisSet, including all inherited members.
| add_shell(Shell &new_shell) | BasisSet | |
| alpha_max(Atom &atm) | BasisSet | |
| alpha_min(Atom &atm, float thresh) | BasisSet | |
| basis | BasisSet | |
| BasisSet() | BasisSet | |
| BasisSet(std::vector< Atom > geometry, std::map< std::string, std::string > parameters) | BasisSet | |
| bf_ids | BasisSet | |
| centers | BasisSet | |
| get_index_of_shell_id(shell_id id) | BasisSet | |
| max_L() | BasisSet | |
| Nbasis | BasisSet | |
| normalize() | BasisSet | |
| Nshells | BasisSet | |
| num_carts() | BasisSet | |
| shell_ids | BasisSet |
1.8.15