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| const AtomicData & | madness::get_atomic_data (unsigned int atomic_number) |
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| unsigned int | madness::symbol_to_atomic_number (const std::string &symbol) |
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| double | madness::smoothing_parameter (double Z, double eprec) |
| | Returns radius for smoothing nuclear potential with energy precision eprec. More...
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| double | madness::smoothed_potential (double r) |
| | Smoothed 1/r potential. More...
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| double | madness::dsmoothed_potential (double r) |
| | Derivative of the regularized 1/r potential. More...
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| double | madness::smoothed_density (double r) |
| | Charge density corresponding to smoothed 1/r potential. More...
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