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to be written #18
to be written #18
Commits on Nov 11, 2019
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- The eliashberg_product_fft now uses indices instead of interpolation. But this comes with the cost of giving a Gamma with the correct wmesh. The sum over omega for the constant part was substituted by already known Fourier transformation. Also fixed 10. - We now use semi-randomized inputs for the eigenvalue solver to get rid of the tail fit problems.
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[eli] generalize solving methods
- Restructure the eliashberg module to be more flexible - Add power method - Test eliashberg_product and the eigenvalue solver individually in seperate tests. - Add documentation
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[eli] fix bug in gamma creation
The constant part was included in matrix product like summation.
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[tests] add macro for python tests
Also: - use this macro in cmake files - add cmakefile for eliashberg tests - add matrix_rpa.py as a module - minor eliashberg test changes - adjust to new folder hierarchy
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- If the plot is done in eliashberg/product_summation_vs_fft is now regulated by a parameter. - The solve_eliashberg method does now take initial deltas as input to start the iterative solvers. It only uses the one produced by semi_randomized_initial_delta if none is given to it.
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- Add a first implementation for bandstructure like plotting WIP - Add a matplotlib style sheet to use with the notebooks - Add a user guide that uses the linearized Eliashberg equation WIP
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[eli] add eliashberg product for constant term
If the dynamic part of the pairing vertex is zero the solving of the eliashberg equation will only be done with the constant part reducing the computational cost.
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test: - the eigenvectors can differ in sign depending on when the eigenvaluesolver stops. Therefore check for sign flip. - missing parenthesis eliashberg.py: - stopped using variable `eliashberg_product` or multiple things
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[eli/doc] improve use_guide WIP
- minor change in plotting_tools.py so it does not access the [0,0] of the Gf, object
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[tb] get rid of model class in favor of function
Lose the unnecessary model class and make `SquareLattice` a function called `create_square_lattice`.
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[rpa] change kanamaori function and add to test
- norb is now the number of orbitals EXCLUDING spin to make the function less error prone.
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- high symmetry points are no longer part of the bsplot implementation and the user gives now the k-points himself. - axes tuning added - dos implementaion added
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Revert "[latutl] output k-points scaled by BZ input"
This reverts commit 88989a3.
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[latutil] generalize chi contraction
The two-particle Green's functions do not require to have a omega and momentum mesh but can have an arbitrary one.
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Instead of using loops over the indicies we are reordering indices to use matrix products. This speeds up the construction significantly. Also the singlet and triplet function now call the same creation function but with different factors for charge and spin.
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[eli] add functionality to compare eigenvectors
Adds a function that checks if two eigenvectors are equal if multiplied by a scalar.
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Make test more generic by variable hopping rates. Also handle exceptions in model parameter lookup and slightly adjust tolerance in testing.
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[eli] refactor eliashberg product
The function `eliashberg_g_delta_g_product` and the dynamic part in `eliashberg_product_fft` were refactored due to issue #725 of TRIQS. Also their outerloop was parallelized with openmp.
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[eli] add parallelized fft helper functions
Because the `make_gf_from_fourier` function of TRIQS is not parallelized for mesh products helper functions were introduced. This is a overlap with some functions in `gf.cpp` and will be changed later.
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[fourier] introduce lattice fourier for general target
Added a template that uses the omp parallelized fourier transformation for Gfs with a general target in fourier_gf.hpp This template was then used is gf.cpp and chi_imtime.cpp where duplicate definitions of a parallelized fourier transformation existed. The naming a placement of fourier_gf.hpp, or further generalizations are up for debate.
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fix -Wsign-compare compiler warnings
We no longer compare signed to unsigned integer.
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[fourier] change template for generic Gf type
The parallelized template fourier function can now not only be used by `const_view` types, but by any Gf type. Also these fourier functions are now used to prepare Gamma in `eliashberg.cpp` and the numerical tolerance was eased in a test.
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Functionality of `eliashberg_product_fft` was pulled out and put into a seperate function. The function mpi_view is now used again to create arrays for multi threaded enviroments.
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[sym] add restricted symmetrizing operations
One can now use the functions `enforce_symmetry` and `check_symmetry` one- particle fermionic Green's function with a MeshProduct with a MeshImFreq on first and a MeshBrillouinZone on second position to symmetrize or check the momentum, frequency or orbital space.
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[sym] fix bug in frequency and momentum
The negative/positive half of the frequency were not mirrored before, resulting in a incorrect enforcing and detecting of frequency symmetry. In the momentum symmetry check numerical zero elements could trigger a +1 for even symmetry, even through they don't matter in a symmetry check. This is now fixed.
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[bse] remove tail_corr_nwf to reduce memory usage
The sum over the fermionic Matsubara frequency i\nu for \chi(i\omega, i\nu, q) can directly be calculated with the function `imtime_bubble_chi0_wk`. This saves memory, because the \chi(i\omega, i\nu, q) object does not need to be allocated for the generally rather big number of i\nu points used for the tail correction. Still, \chi(i\omega, i\nu, q) needs to be allocated for the number of i\nu used for \Gamma(i\omega, i\nu, i\nu) where memory can be a restriction.
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Commits on Nov 15, 2019
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Commits on Dec 13, 2019
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Commits on Aug 10, 2020
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Commits on Aug 11, 2020
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Commits on Aug 12, 2020
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Commits on Aug 14, 2020
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[eli] adjust 1/2 factor in implementation to theory
This showed, that there was a missing factor of 1/2 in the constant part of the particle-particle gamma. Luckily, this is very insignificant, as I have checked for previous calculations. Anyways, I have adjusted the data for the previous implementation checks.
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Commits on Aug 17, 2020
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Commits on Aug 18, 2020
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Commits on Sep 25, 2020
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[eli] use FFT instead of SUM for test
That FFT and SUM yield the same result is covered by a different test. Speed up from 15 sec to 2 sec.
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[eli] reduce number of symmetries checked
The test 'symmetrize_gf' does already test the functionality of the 'enforce_symmetry' function. Therefore we now only test if 'solve_eliashberg' actually uses this function and applies it correctly for two different cases. Speed up from 8 sec to 2 sec.
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[eli] change model parameter for speed up
Speed up from 5 sec to 2 sec.
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[eli] don't solve eliashberg but use mocks
Speed up from 5 sec to 1 sec.
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[eli] reduce temperature and number of frequencies
Speed up from 5 sec to 1 sec.
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Revert "Add matplotlib to requirements.txt"
This reverts commit a270b16.
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Commits on Oct 4, 2020
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[eli] Consistently use 'auto const &' in range-based for-loops
-clang-format edited lines
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The momentum/frequency dependence of \Gamma inside the linearized Eliashberg equation was reversed, i.e. K <-> K'. This is now fixed including the changes this brings for symmetrized Gammas.
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