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to be written #18

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wants to merge 123 commits into from
Closed

to be written #18

wants to merge 123 commits into from

Commits on Nov 11, 2019

  1. [eli] improve on FFT impl WIP

    - 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.
    StefanKaeser committed Nov 11, 2019
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  2. [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
    StefanKaeser committed Nov 11, 2019
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  3. [eli] fix bug in gamma creation

    The constant part was included in matrix product like summation.
    StefanKaeser committed Nov 11, 2019
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  4. [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
    StefanKaeser committed Nov 11, 2019
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  5. [eli] add minor changes

    - 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.
    StefanKaeser committed Nov 11, 2019
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  7. [eli] add user guide WIP

    - 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
    StefanKaeser committed Nov 11, 2019
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  11. [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.
    StefanKaeser committed Nov 11, 2019
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  12. [tb] add model class

    StefanKaeser committed Nov 11, 2019
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  13. [eli] fix minor bugs

    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
    StefanKaeser committed Nov 11, 2019
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  16. [eli/doc] improve use_guide WIP

    - minor change in plotting_tools.py so it does not access the [0,0] of
    the Gf, object
    StefanKaeser committed Nov 11, 2019
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  17. [tb] get rid of model class in favor of function

    Lose the unnecessary model class and make `SquareLattice` a function
    called `create_square_lattice`.
    StefanKaeser committed Nov 11, 2019
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  20. [rpa] change kanamaori function and add to test

    - norb is now the number of orbitals EXCLUDING spin to make the function
    less error prone.
    StefanKaeser committed Nov 11, 2019
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  22. [plot] improve plotting_tools

    - 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
    StefanKaeser committed Nov 11, 2019
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  28. Revert "[latutl] output k-points scaled by BZ input"

    This reverts commit 88989a3.
    StefanKaeser committed Nov 11, 2019
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  29. [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.
    StefanKaeser committed Nov 11, 2019
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  30. [eli] refactor gamma creation

    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.
    StefanKaeser committed Nov 11, 2019
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  31. [eli] parallelize gamma creation

    Stefan Kaser authored and StefanKaeser committed Nov 11, 2019
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  34. [eli] add functionality to compare eigenvectors

    Adds a function that checks if two eigenvectors are equal if multiplied
    by a scalar.
    StefanKaeser committed Nov 11, 2019
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  35. [eli] update two band test

    Make test more generic by variable hopping rates.
    Also handle exceptions in model parameter lookup and slightly adjust
    tolerance in testing.
    StefanKaeser committed Nov 11, 2019
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  36. [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.
    StefanKaeser committed Nov 11, 2019
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  37. [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.
    StefanKaeser committed Nov 11, 2019
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  39. [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.
    StefanKaeser committed Nov 11, 2019
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  41. fix -Wsign-compare compiler warnings

    We no longer compare signed to unsigned integer.
    StefanKaeser committed Nov 11, 2019
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  45. [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.
    StefanKaeser committed Nov 11, 2019
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  46. [eli] clean up code

    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.
    StefanKaeser committed Nov 11, 2019
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  47. [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.
    StefanKaeser committed Nov 11, 2019
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  49. [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.
    StefanKaeser committed Nov 11, 2019
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  52. [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.
    StefanKaeser committed Nov 11, 2019
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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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  3. [eli] refactor tests

    StefanKaeser committed Aug 12, 2020
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Commits on Aug 13, 2020

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Commits on Aug 14, 2020

  1. [eli] update theory

    StefanKaeser committed Aug 14, 2020
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  2. [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.
    StefanKaeser committed Aug 14, 2020
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Commits on Aug 17, 2020

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  5. [eli] add new test

    StefanKaeser committed Aug 17, 2020
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  7. [eli] update doc

    StefanKaeser committed Aug 17, 2020
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Commits on Aug 19, 2020

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  2. [eli] combine loops

    StefanKaeser committed Aug 19, 2020
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Commits on Sep 8, 2020

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Commits on Sep 25, 2020

  1. [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.
    StefanKaeser committed Sep 25, 2020
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  2. [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.
    StefanKaeser committed Sep 25, 2020
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  3. [eli] change model parameter for speed up

    Speed up from 5 sec to 2 sec.
    StefanKaeser committed Sep 25, 2020
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  4. [eli] don't solve eliashberg but use mocks

    Speed up from 5 sec to 1 sec.
    StefanKaeser committed Sep 25, 2020
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  5. [eli] reduce temperature and number of frequencies

    Speed up from 5 sec to 1 sec.
    StefanKaeser committed Sep 25, 2020
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  12. remove Dummy files

    StefanKaeser committed Sep 25, 2020
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  14. Revert "Add matplotlib to requirements.txt"

    This reverts commit a270b16.
    StefanKaeser committed Sep 25, 2020
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Commits on Oct 4, 2020

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  2. [pkg] Readme update

    HugoStrand committed Oct 4, 2020
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Commits on Jan 21, 2021

  1. [eli] update theory

    StefanKaeser committed Jan 21, 2021
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  5. [eli] Consistently use 'auto const &' in range-based for-loops

    -clang-format edited lines
    Wentzell committed Jan 22, 2021
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Commits on Jan 25, 2021

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Commits on May 17, 2021

  1. fix error in equations

    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.
    StefanKaeser committed May 17, 2021
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