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Commits on Feb 9, 2023

• Fixing some documentation layouts & duplicate (JuliaMolSim#815)

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  epolack

  and

  mfherbst

  authored
  b4fda47

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Commits on Feb 6, 2023

• Integrate with AtomsBase 0.3 (JuliaMolSim#814)

  mfherbst

  authored
  b47e029

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Commits on Jan 30, 2023

• Increase features supported on CUDA-based GPUs (JuliaMolSim#813)

  mfherbst

  authored
  cd82cbc

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Commits on Jan 15, 2023

• Bump version: 0.6.1 → 0.6.2

  mfherbst

  committed
  14b0e31

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• Implement more flexible Fermi level algorithm interface (JuliaMolSim#792)

  mfherbst

  authored
  021e17b

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Commits on Jan 5, 2023

• Add precompilation (JuliaMolSim#809)

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  antoine-levitt

  and

  mfherbst

  authored
  12f61f4

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Commits on Jan 4, 2023

• Add simplistic time per SCF step printing (JuliaMolSim#806)

  mfherbst

  authored
  812b539

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• Disable type piracy check in Aqua

  mfherbst

  authored
  cf7ff8c

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• Bump version: 0.6.0 → 0.6.1

  mfherbst

  committed
  e3b26d2

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Commits on Dec 21, 2022

• Remove load_xyz functions (JuliaMolSim#805)

  mfherbst

  authored
  532eb85

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Commits on Dec 20, 2022

• Avoid full instantiation

  mfherbst

  committed
  85fb08d

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• Fix TimerOutputs version bound

  mfherbst

  committed
  8bfd295

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• Remove deprecated features (JuliaMolSim#804)

  mfherbst

  authored
  43768c0

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• Bump version: 0.5.15 → 0.6.0

  mfherbst

  committed
  3c75986

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• Rely on AtomsIO for structure parsing (JuliaMolSim#802)

  mfherbst

  authored
  a9764b4

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Commits on Dec 15, 2022

• Bugfix for computations of δψ and supercells (JuliaMolSim#775)

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  epolack

  and

  mfherbst

  authored
  a8061f5

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• Make cigpu badge a link to ci pipelines in gitlab (JuliaMolSim#801)

  carstenbauer

  authored
  6a8c3ba

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Commits on Dec 13, 2022

• Switch to density tolerance by default (JuliaMolSim#800)

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  mfherbst

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Commits on Dec 12, 2022

• Edit GPU CI badge

  mfherbst

  committed
  d171d8a

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• Add GPU CI badge

  mfherbst

  committed
  a0c68c3

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• Switch default scf solver to builtin Anderson (JuliaMolSim#791)

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  epolack

  and

  mfherbst

  authored
  fa61e5e

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• Add GPU CI via gitlab (JuliaMolSim#796)

  mfherbst

  authored
  2b45e5b

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Commits on Dec 6, 2022

• Add developper documentation for GPU computations (JuliaMolSim#793)

  GVigne

  authored
  a2463c1

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Commits on Dec 5, 2022

• Correct PW parameterization comment (JuliaMolSim#795)

  epolack

  authored
  0cdcae7

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Commits on Nov 23, 2022

• Bump version: 0.5.14 → 0.5.15

  mfherbst

  committed
  991b720

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• Cast beta to the same element type as x0 (JuliaMolSim#788)

  GVigne

  authored
  480afcf

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• Improve DOS plotting default axes ranges (JuliaMolSim#786)

  mfherbst

  authored
  fd9db3b

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Commits on Nov 22, 2022

• Printing fixes (JuliaMolSim#785)

  mfherbst

  authored
  0a861a2

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• Make some computations in DFTK GPU-compatible (JuliaMolSim#712)

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  GVigne

  and

  mfherbst

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Commits on Nov 21, 2022

• Specialisation for transfer along identical lattices (JuliaMolSim#783)

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  epolack

  and

  mfherbst

  authored
  703e0d0

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Commits on Nov 15, 2022

• Transfer phonon (JuliaMolSim#760)

  epolack

  authored
  d424c48

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Commits on Nov 11, 2022

• Bugfix for UPF (JuliaMolSim#781)

  epolack

  authored
  d59776b

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• Expand ForwardDiff support to LocalNonlinearity parameters (JuliaMolSim#779)

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  niklasschmitz

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  mfherbst

  authored
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Commits on Nov 8, 2022

• Update data_structures.md

  antoine-levitt

  authored
  d770b7a

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Commits on Nov 5, 2022

• Bump version: 0.5.13 → 0.5.14

  mfherbst

  committed
  c2b272c

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