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  • 15 commits
  • 23 files changed
  • 3 contributors

Commits on Sep 16, 2022

  1. Made main/ routine to run ASCI/ED with GF calculation. Similarly, add… 

    …ed ED+GF code to asci_body.hpp
    Carlos Mejuto Zaera (cmejutoz)
    Carlos Mejuto Zaera (cmejutoz) committed Sep 16, 2022
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Commits on Sep 19, 2022

  1. Added Lobpcg call as possible Hamiltonian solver, to get excited stat… 

    …es if so desired.
    Carlos Mejuto Zaera (cmejutoz)
    Carlos Mejuto Zaera (cmejutoz) committed Sep 19, 2022
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  2. Minor clean-up.

    Carlos Mejuto Zaera (cmejutoz)
    Carlos Mejuto Zaera (cmejutoz) committed Sep 19, 2022
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Commits on Sep 23, 2022

  1. Included LOBPCG to the ASCI workflow, adding option to evaluate multi… 

    …ple roots of Hamiltonian. Also added minor strucute to HamiltonianGenerator to allow for state symmetrization in case of degeneracies for impurity solver specialization.
    Carlos Mejuto Zaera (cmejutoz)
    Carlos Mejuto Zaera (cmejutoz) committed Sep 23, 2022
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Commits on Sep 28, 2022

  1. Added main/ file to just run ASCI, no RDM's or GF's.

    Carlos Mejuto Zaera (cmejutoz)
    Carlos Mejuto Zaera (cmejutoz) committed Sep 28, 2022
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Commits on Oct 7, 2022

  1. Added minimal infrastructure to symmetrize determinant truncation dow… 

    …ntream in the impurity version of the code.
    Carlos Mejuto Zaera (cmejutoz)
    Carlos Mejuto Zaera (cmejutoz) committed Oct 7, 2022
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Commits on Nov 21, 2022

  1. Changed metis source in CMakeLists to more stable mirror.

    Carlos Mejuto Zaera
    Carlos Mejuto Zaera committed Nov 21, 2022
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  2. Included option to save to file the (band) Lanczos data required to r… 

    …ecompute the Green's function in a given frequency window.
    @CarlosMejZ
    CarlosMejZ committed Nov 21, 2022
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Commits on Nov 24, 2022

  1. Added custom exception class to utils.h++ to identify missing keys in… 

    … the input file.
    @CarlosMejZ
    CarlosMejZ committed Nov 24, 2022
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Commits on Dec 1, 2022

  1. Added infrastructure to include active spaces into ASCI search

    Carlos Mejuto Zaera
    Carlos Mejuto Zaera committed Dec 1, 2022
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Commits on Feb 7, 2023

  1. Added functionalities to use Lowdin projection in impurity solver.

    Carlos Mejuto Zaera
    Carlos Mejuto Zaera committed Feb 7, 2023
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Commits on Jun 2, 2023

  1. Fixed bug with ffs for bitsets of more than 64 bits.

    @CarlosMejZ
    CarlosMejZ committed Jun 2, 2023
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Commits on Sep 29, 2023

  1. Tweaked the Hamiltonian diagonalization's option to evaluate the diag… 

    …onalization simply calling lapack
    @CarlosMejZ
    CarlosMejZ committed Sep 29, 2023
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Commits on Oct 3, 2023

  1. Minor bug reading parameters in GF calculation, only affected print o… 

    …ptions.
    @CarlosMejZ
    CarlosMejZ committed Oct 3, 2023
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Commits on Nov 26, 2024

  1. Added minor modification to make Band Lanczos computation of the GF c… 

    …ompatible with comlpex wave functions. The normal Lanczos calculation of off-diagonal elements is not appropriate for complex wave functions, though.
    @CarlosMejZ
    CarlosMejZ committed Nov 26, 2024
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