46 void mix(
const std::vector<std::vector<double>>& dm,
const bool flag_restart);
53 void mix(
const std::vector<std::vector<std::complex<double>>>& dm,
const bool flag_restart);
64 std::vector<const std::vector<std::complex<double>>*>
get_DMk_k_out()
const;
68 std::vector<Mix_Matrix<std::vector<std::complex<double>>>>
mix_DMk_k;
Mixing class can mixing different steps of data to solver the iteration problem. For equation x = f(x...
Definition mixing.h:19
Definition Mix_DMk_2D.h:17
std::vector< Mix_Matrix< std::vector< double > > > mix_DMk_gamma
Definition Mix_DMk_2D.h:67
std::vector< const std::vector< std::complex< double > > * > get_DMk_k_out() const
Returns the complex density matrix.
Definition Mix_DMk_2D.cpp:66
Mix_DMk_2D & set_mixing_beta(const double mixing_beta)
Sets the mixing beta.
Definition Mix_DMk_2D.cpp:32
Mix_DMk_2D & set_mixing(Base_Mixing::Mixing *mixing_in)
Sets the mixing mode.
Definition Mix_DMk_2D.cpp:20
bool gamma_only
Definition Mix_DMk_2D.h:69
void mix(const std::vector< std::vector< double > > &dm, const bool flag_restart)
Mixes the double density matrix.
Definition Mix_DMk_2D.cpp:44
std::vector< const std::vector< double > * > get_DMk_gamma_out() const
Returns the double density matrix.
Definition Mix_DMk_2D.cpp:59
std::vector< Mix_Matrix< std::vector< std::complex< double > > > > mix_DMk_k
Definition Mix_DMk_2D.h:68
Mix_DMk_2D & set_nks(const int nks, const bool gamma_only_in)
Sets the number of k-points and gamma_only flag.
Definition Mix_DMk_2D.cpp:9