Code

Cell to supercell#3

Code

Merged

LaurentVidal95 merged 24 commits intoLaurentVidal95:cell_to_supercellLaurentVidal95/DFTK.jl:cell_to_supercellfrom epolack:cell_to_supercellepolack/DFTK.jl:cell_to_supercellCopy head branch name to clipboardOct 20, 2022

+1,427-910

Commits

Commits on Sep 27, 2022

• Fix computation of Fermi level at zero temperature (JuliaMolSim#728)

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  Gaspard Kemlin

  and

  mfherbst

  authored
  a96f551

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Commits on Sep 28, 2022

• Make LOBPCG GPU-compatible (JuliaMolSim#711)

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  GVigne

  and

  mfherbst

  authored
  d28391e

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Commits on Sep 29, 2022

• Make CUDA an optional dependency (JuliaMolSim#738)

  mfherbst

  authored
  fe05b81

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• Small bugfixes and changes (JuliaMolSim#736)

  mfherbst

  authored
  021160e

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• Test for consistency of psp correction (JuliaMolSim#739)

  mfherbst

  authored
  3ce3b2c

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• Automatically adapt number of bands during SCF (JuliaMolSim#695)

  mfherbst

  authored
  9115382

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• Save some matrix-vector products in Sternheimer solver (JuliaMolSim#740)

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  Gaspard Kemlin

  and

  mfherbst

  authored
  16c1ef1

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Commits on Sep 30, 2022

• Bump version: 0.5.8 → 0.5.9

  mfherbst

  committed
  17c6489

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Commits on Oct 4, 2022

• Bump compat for MPI to 0.20 (JuliaMolSim#743)

  github-actions[bot]

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  e0dd9c5

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Commits on Oct 5, 2022

• Fix forces with symmetries (JuliaMolSim#744)

  antoine-levitt

  authored
  353c11f

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Commits on Oct 7, 2022

• Update citations (JuliaMolSim#745)

  mfherbst

  authored
  35426bb

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Commits on Oct 10, 2022

• Band structure for non-standard lattice, cleanup (JuliaMolSim#555)

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  jaemolihm

  and

  mfherbst

  authored
  599b2f0

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Commits on Oct 11, 2022

• Bump version: 0.5.9 → 0.5.10

  mfherbst

  committed
  4598235

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Commits on Oct 13, 2022

• DFPT paper (JuliaMolSim#747)

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  Gaspard Kemlin

  authored
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• Switch chat spaces to zulip (JuliaMolSim#748)

  mfherbst

  authored
  11f7865

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Commits on Oct 15, 2022

• Allowing for fixed Fermi level (JuliaMolSim#727)

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  3 peopleauthored
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• Bump version: 0.5.10 → 0.5.11

  mfherbst

  committed
  2a41de9

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Commits on Oct 17, 2022

• Optimize symmetry checking (JuliaMolSim#751)

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  antoine-levitt

  and

  mfherbst

  authored
  8eb5e1e

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Commits on Oct 19, 2022

• Custom CG (JuliaMolSim#750)

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  Gaspard Kemlin

  and

  mfherbst

  authored
  818eae9

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• Shifting functions for k-points (JuliaMolSim#714)

  epolack

  authored
  175937a

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Commits on Oct 20, 2022

• Michael's comments

  epolack

  committed
  5d787a6

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• mpi

  epolack

  committed
  227eb92

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• Merge remote-tracking branch 'origin/master' into cell_to_supercell

  epolack

  committed
  6c4e5e7

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• notation consistency

  epolack

  committed
  4529158

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