SIRIUS 7.5.0
Electronic structure library and applications
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Inherits sirius::local::Overlap_operator.
Public Member Functions | |
S_k (Simulation_context &ctx, const Q_operator< double > &q_op, const Beta_projectors_base< double > &bp, int ispn) | |
sddk::mdarray< numeric_t, 2 > | apply (sddk::mdarray< numeric_t, 2 > const &X, sddk::memory_t pu=sddk::memory_t::none) |
void | apply (sddk::mdarray< numeric_t, 2 > &Y, sddk::mdarray< numeric_t, 2 > const &X, sddk::memory_t pm=sddk::memory_t::none) |
Public Member Functions inherited from sirius::local::Overlap_operator | |
Overlap_operator (Simulation_context &simulation_context, int n) | |
const Simulation_context & | ctx () const |
int | size () const |
global dimension of the operator More... | |
Public Attributes | |
const std::string | label {"overlap"} |
Private Attributes | |
Q_operator< double > const & | q_op_ |
Beta_projectors_base< double > const & | bp_ |
const int | ispn_ |
Additional Inherited Members | |
Protected Attributes inherited from sirius::local::Overlap_operator | |
Simulation_context & | ctx_ |
int | n_ |
Definition at line 134 of file inverse_overlap.hpp.
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inline |
Definition at line 137 of file inverse_overlap.hpp.
sddk::mdarray< numeric_t, 2 > sirius::S_k< numeric_t >::apply | ( | sddk::mdarray< numeric_t, 2 > const & | X, |
sddk::memory_t | pu = sddk::memory_t::none |
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) |
Definition at line 318 of file inverse_overlap.hpp.
void sirius::S_k< numeric_t >::apply | ( | sddk::mdarray< numeric_t, 2 > & | Y, |
sddk::mdarray< numeric_t, 2 > const & | X, | ||
sddk::memory_t | pm = sddk::memory_t::none |
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) |
Definition at line 267 of file inverse_overlap.hpp.
const std::string sirius::S_k< numeric_t >::label {"overlap"} |
Definition at line 149 of file inverse_overlap.hpp.
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private |
Definition at line 152 of file inverse_overlap.hpp.
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private |
Definition at line 153 of file inverse_overlap.hpp.
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private |
Definition at line 154 of file inverse_overlap.hpp.