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  • 08:01
    Travis JuliaMolSim/DFTK.jl (master) passed (1301)
  • 08:01

    mfherbst on gh-pages

    build based on a6b41a9 (compare)

  • 07:54
    antoine-levitt synchronize #274
  • 07:54

    antoine-levitt on pwbasis

    review (compare)

  • 07:16

    mfherbst on geometry_optimization

    (compare)

  • 07:16

    mfherbst on master

    Adding H2 geometry optimzation … (compare)

  • 07:16
    mfherbst closed #278
  • Jul 10 09:48
    Travis JuliaMolSim/DFTK.jl#278 passed (1300)
  • Jul 10 09:31
    Travis JuliaMolSim/DFTK.jl#278 passed (1299)
  • Jul 10 09:08
    Travis JuliaMolSim/DFTK.jl#278 broken (1298)
  • Jul 10 09:02
    gkemlin synchronize #278
  • Jul 10 09:02

    gkemlin on geometry_optimization

    typo (compare)

  • Jul 10 08:44
    gkemlin synchronize #278
  • Jul 10 08:44

    gkemlin on geometry_optimization

    correcting typos (compare)

  • Jul 10 08:27
    mfherbst edited #278
  • Jul 10 08:22
    gkemlin synchronize #278
  • Jul 10 08:22

    gkemlin on geometry_optimization

    applying Michael's review + cha… (compare)

  • Jul 09 17:46
    mfherbst commented #278
  • Jul 09 17:45
    mfherbst commented #278
  • Jul 09 17:40
    antoine-levitt commented #278
Sami SIRAJ-DINE
@samisirajdine_gitlab
live:samsami1
Antoine Levitt
@antoine-levitt
tried to call you, didn't work
gkemlin
@gkemlin
when I clic on join, nothing happens
Antoine Levitt
@antoine-levitt
you're the maillon faible gaspard
gkemlin
@gkemlin
even with chrome its not working
Antoine Levitt
@antoine-levitt
can you try on your phone?
gkemlin
@gkemlin
I don't think so
It's weird, I can't call anyone
seems to work now
Antoine Levitt
@antoine-levitt
we can't hear you
gkemlin
@gkemlin
can you see me ?
Antoine Levitt
@antoine-levitt
nope
Michael F. Herbst
@mfherbst
nope
yes now
gkemlin
@gkemlin
i can see you
but i can't hear you
Antoine Levitt
@antoine-levitt
we can see a frame of you
and can't hear you
gkemlin
@gkemlin
great
almost here
can you here me now ?
eric-cances
@eric-cances
no, but now I can see you!
Gaspard, can you hear us?
gkemlin
@gkemlin
no
Sami SIRAJ-DINE
@samisirajdine_gitlab
We continue, and then Eric will call you
gkemlin
@gkemlin
the audio test from skype works
ok
sorry
for DFTK i've told what I had to say to éric and antoine on friday afternoon
gkemlin
@gkemlin
For those who had planned to go to SIAM-MS bilbao, it has been postponed to next year May 24 to 29, 2021 :'(
Antoine Levitt
@antoine-levitt
That was to be expected
Great I'll be able to go then!
Michael F. Herbst
@mfherbst
Thanks for the update ... a shame I was really looking forward
Michael F. Herbst
@mfherbst
Density extrapolation reference: https://doi.org/10.1016/j.cpc.2018.07.007
ups sorry ... wrong doi, right one: http://dx.doi.org/10.1016/s0010-4655(98)00195-7
tzsuzsi
@tzsuzsi
I just declined a new call, I do it from reflex :D was this call intentional, do we need to discuss sg else?
Michael F. Herbst
@mfherbst
@tzsuzsi @gkemlin Currently the abinit interface is broken ... we missed to update it after the termocalypse. I'm working to fix it. I should be done by the afternoon ...
gkemlin
@gkemlin
Okay. (Termocalypse ? What's that ?)
Michael F. Herbst
@mfherbst
That's my writing for JuliaMolSim/DFTK.jl#130
gkemlin
@gkemlin
haha, ok, great name !
Michael F. Herbst
@mfherbst
@tzsuzsi @gkemlin I fixed the ABINIT interface and added and added a dummy collinear spin test case. on JuliaMolSim/DFTK.jl#182. I did not manage to get ABINIT to work on my Desktop, so it's unverified as of now. I'll verify on the cluster and then merge into master.
gkemlin
@gkemlin
great, thanks for the update !
tzsuzsi
@tzsuzsi
Thanks Michael! :D
Michael F. Herbst
@mfherbst
JuliaMolSim/DFTK.jl#182 merged.
Michael F. Herbst
@mfherbst
@gkemlin All sorts of grid / basis interpolation functions in more or less naive implementations are now in master. See interpolate_blochwave and interpolate_kpoint for details.
gkemlin
@gkemlin
great, thanks very much !
Michael F. Herbst
@mfherbst
These are the funny LiCu bands
run_LiCu_bands.svg
Michael F. Herbst
@mfherbst
Not sure we are really chemistry: https://juliapackages.com/c/chemistry
Michael F. Herbst
@mfherbst
At all the people who know more about the way topics are categorised in maths: Should we not also belong here or here?