Activity for normcor

  • Gerald Mathias Gerald Mathias committed [r340]

    cleaning up

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    cleaning up

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    bib updated

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    vw replaced in appendix

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    mods

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    strings and bib file

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    smoothing works

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    before SG merge

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    before s.i. merge

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    crosscorr diagonalization

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    strange dipole order

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    test comment line

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    with drop lines

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    update

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    current status

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    power not working

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    harmonic

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    final mode spectra

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    mode table

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    save

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    before rewriting DgL-1

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    clean

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    before int coord

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    1 and 2 d in 3-d cube

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    window functions implemented

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    Fig

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    backup

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    trajectory transform

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    clean

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    typo corrections from sergei

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    up to Bmat calculation

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    normalized intensities; dipole working but need...

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    template for bpj paper

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    end of week

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    changed names

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    works 3-d

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    working

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    all figures go in here

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    some utils and main

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    bugfix]

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    splitted up files

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    merge

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    working version,

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    structures for internal coordinates

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    alloc routines for ICs

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    2nd test

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    revised up to internals

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    merge mb bib

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    worked in segeis notes

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    new Figures

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    bib updated

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    before DM

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    atom data

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    |a| three digits

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    figs

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    blas lapack wrapper

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    formated files

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    xyz-file parser

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    nice report of the parse operations

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    to dominik

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    primitive functions for internal coordinates

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    up

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    before reformatting the code, first parts of pr...

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    dumping ICs

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    figs

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    before current

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    dummy X for wannier centers

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    Bmat veryfied, Bplus implemented and veryfied

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    fixed dgemm

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    restart works

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    submitted

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    gaigeot

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