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SIRIUS 7.5.0
Electronic structure library and applications
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Conjugate-gradient solver. More...
Functions | |
| template<class T > | |
| void | repack (std::vector< T > &data, std::vector< int > const &ids) |
| template<typename Matrix , typename Prec , typename StateVec > | |
| auto | multi_cg (Matrix &A, Prec &P, StateVec &X, StateVec &B, StateVec &U, StateVec &C, int maxiters=10, double tol=1e-3, bool initial_guess_is_zero=false) |
Conjugate-gradient solver.
| void sirius::cg::repack | ( | std::vector< T > & | data, |
| std::vector< int > const & | ids | ||
| ) |
Definition at line 46 of file multi_cg.hpp.
| auto sirius::cg::multi_cg | ( | Matrix & | A, |
| Prec & | P, | ||
| StateVec & | X, | ||
| StateVec & | B, | ||
| StateVec & | U, | ||
| StateVec & | C, | ||
| int | maxiters = 10, |
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| double | tol = 1e-3, |
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| bool | initial_guess_is_zero = false |
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| ) |
Definition at line 55 of file multi_cg.hpp.