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OpenCAP
Electronic structure of metastable states
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This is the complete list of members for Shell, including all inherited members.
| add_primitive(double exp, double coeff) | Shell | |
| alpha_max() | Shell | |
| alpha_min() | Shell | |
| coeffs | Shell | |
| evaluate(double x, double y, double z, size_t lx, size_t ly, size_t lz) | Shell | |
| evaluate_on_grid(double *x, double *y, double *z, int num_points, size_t lx, size_t ly, size_t lz, Eigen::Ref< Eigen::VectorXd > v) | Shell | |
| exps | Shell | |
| l | Shell | |
| normalize() | Shell | |
| num_bf() | Shell | |
| num_carts() | Shell | |
| num_prims | Shell | |
| operator==(const Shell &other) | Shell | |
| origin | Shell | |
| pure | Shell | |
| Shell(int angmom, bool cart_flag, std::vector< double > exponents, std::vector< double > coefficients) | Shell | |
| Shell(Shell s, std::array< double, 3 >center) | Shell | |
| Shell() | Shell | |
| Shell(int angmom, std::array< double, 3 >center) | Shell | |
| update_coords(std::array< double, 3 > center) | Shell |
1.8.15