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Commits on Oct 28, 2022

• Bump version: 0.5.12 → 0.5.13

  mfherbst

  committed
  f598b54

Commits on Oct 27, 2022

• More systematic use of named tuples (JuliaMolSim#770)

  Show description for f494687
  

  epolack

  and

  mfherbst

  authored
  f494687

• Drop compatibility for older versions (JuliaMolSim#773)

  mfherbst

  authored
  ce81c27

Commits on Oct 26, 2022

• Computing density with occupation threshold (JuliaMolSim#772)

  epolack

  authored
  d6e7029

Commits on Oct 25, 2022

• update comments and dH->dV (JuliaMolSim#771)

  

  Gaspard Kemlin

  authored
  6e6d523

• Fixup for chi0: use n==m rather than εn == εm

  antoine-levitt

  committed
  c799f8a

• Splitting computations of δψ and δocc (JuliaMolSim#758)

  epolack

  authored
  099feb8

Commits on Oct 24, 2022

• Require Interpolations 1.14 (JuliaMolSim#768)

  antoine-levitt

  authored
  5f24d3d

• Update Brillouin to 0.5.10 (JuliaMolSim#769)

  antoine-levitt

  authored
  07afb0e

Commits on Oct 22, 2022

• Bump version: 0.5.11 → 0.5.12

  mfherbst

  committed
  622c862

• Integrate pseudopotential documentation (JuliaMolSim#764)

  mfherbst

  authored
  2e2d433

Commits on Oct 21, 2022

• Support for NC pseudos in UPF format (JuliaMolSim#741)

  Show description for 3b1bfff
  

  3 peopleauthored
  3b1bfff

Commits on Oct 20, 2022

• Cell to supercell routines (JuliaMolSim#627)

  Show description for 9381bf4
  

  3 peopleauthored
  9381bf4

• Added reference for the energy cutoff smearing (JuliaMolSim#754)

  Show description for 8908de4
  

  LaurentVidal95

  and

  mfherbst

  authored
  8908de4

• Adding CG callback passthroughs (JuliaMolSim#757)

  

  Gaspard Kemlin

  authored
  32dbfd0

• update forces publication (JuliaMolSim#755)

  

  Gaspard Kemlin

  authored
  2cebdfb

Commits on Oct 19, 2022

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

  epolack

  authored
  175937a

• Custom CG (JuliaMolSim#750)

  Show description for 818eae9
  

  Gaspard Kemlin

  and

  mfherbst

  authored
  818eae9

Commits on Oct 17, 2022

• Optimize symmetry checking (JuliaMolSim#751)

  Show description for 8eb5e1e
  

  antoine-levitt

  and

  mfherbst

  authored
  8eb5e1e

Commits on Oct 15, 2022

• Bump version: 0.5.10 → 0.5.11

  mfherbst

  committed
  2a41de9

• Allowing for fixed Fermi level (JuliaMolSim#727)

  Show description for f68c8ac
  

  3 peopleauthored
  f68c8ac

Commits on Oct 13, 2022

• Switch chat spaces to zulip (JuliaMolSim#748)

  mfherbst

  authored
  11f7865

• DFPT paper (JuliaMolSim#747)

  Show description for 3ab4870
  

  Gaspard Kemlin

  authored
  3ab4870

Commits on Oct 11, 2022

• Bump version: 0.5.9 → 0.5.10

  mfherbst

  committed
  4598235

Commits on Oct 10, 2022

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

  Show description for 599b2f0
  

  jaemolihm

  and

  mfherbst

  authored
  599b2f0

Commits on Oct 7, 2022

• Update citations (JuliaMolSim#745)

  mfherbst

  authored
  35426bb

Commits on Oct 5, 2022

• Fix forces with symmetries (JuliaMolSim#744)

  antoine-levitt

  authored
  353c11f

Commits on Oct 4, 2022

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

  github-actions[bot]

  authored
  e0dd9c5

Commits on Sep 30, 2022

• Bump version: 0.5.8 → 0.5.9

  mfherbst

  committed
  17c6489

Commits on Sep 29, 2022

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

  Show description for 16c1ef1
  

  Gaspard Kemlin

  and

  mfherbst

  authored
  16c1ef1

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

  mfherbst

  authored
  9115382

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

  mfherbst

  authored
  3ce3b2c

• Small bugfixes and changes (JuliaMolSim#736)

  mfherbst

  authored
  021160e

• Make CUDA an optional dependency (JuliaMolSim#738)

  mfherbst

  authored
  fe05b81

Commits on Sep 28, 2022

• Make LOBPCG GPU-compatible (JuliaMolSim#711)

  Show description for d28391e
  

  GVigne

  and

  mfherbst

  authored
  d28391e

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