TRIQS/triqs_modest 3.3.0
Modular Electronic Structure Toolkit
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Methods to analyze the degenerate blocks of a Green's function and use those blocks to symmetrize the Green's function object.
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std::vector< std::vector< long > > | triqs::modest::analyze_degenerate_blocks (block_gf< imfreq, matrix_valued > const &Gimp, double threshold=1.e-5) |
Find the generate blocks of a block GF by analyzing \( G(\tau=0) \) or \( G(i\omega_0) \) using the union-find algorithm. | |
block_gf< imfreq, matrix_valued > | triqs::modest::symmetrize_gf (block_gf< imfreq, matrix_valued > const &Gin, std::vector< std::vector< long > > degenerate_blocks) |
Symmetrize the blocks of a Green's function given a list of it's degenerate blocks. | |
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#include <triqs_modest/degenerate_blocks.hpp>
Find the generate blocks of a block GF by analyzing \( G(\tau=0) \) or \( G(i\omega_0) \) using the union-find algorithm.
We use the union-find algorithm to group the blocks of the block GF (matrices) into equivalence classes based on approximate numerical equality. If two matrices are approximately equal, their blocks are united into the same set. The final result is a partitioning of the blocks (matrices) into degenerate groups.
Gimp | Block Green's function. |
threshold | Tolerance for equivalent of blocks. |
Definition at line 58 of file degenerate_blocks.hpp.
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inline |
#include <triqs_modest/degenerate_blocks.hpp>
Symmetrize the blocks of a Green's function given a list of it's degenerate blocks.
Average the degenerate blocks and replace the degenerate ones with their average.
Gin | Block Green's function. |
degenerate_blocks | A list of the degenerate blocks. |
Definition at line 94 of file degenerate_blocks.hpp.