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Commits on Sep 18, 2023

• Set depot path on gitlab ci

  mfherbst

  committed
  8528f18

• Removing code branch for Julia < 1.7 (JuliaMolSim#883)

  epolack

  authored
  4aeaacc

Commits on Sep 16, 2023

• Implemented density transfer, added timings to hessian (JuliaMolSim#878)

  Show description for bed5151
  

  a-azzali

  and

  mfherbst

  authored
  bed5151

Commits on Sep 12, 2023

• warning uses unexisting variable (JuliaMolSim#880)

  epolack

  authored
  5be1b81

Commits on Sep 11, 2023

• Bump actions/checkout from 3 to 4 (JuliaMolSim#879)

  Show description for 361b57b
  dependabot[bot]

  authored
  361b57b

Commits on Aug 30, 2023

• CompatHelper: bump compat for Polynomials to 4, (keep existing compat) (JuliaMolSim#874)

  Show description for 9de6808
  

  github-actions[bot]

  and

  mfherbst

  authored
  9de6808

Commits on Aug 17, 2023

• Fix MPI test for JSON serialisation

  mfherbst

  committed
  1c10712

• Add versioninfo function (JuliaMolSim#872)

  Show description for a7b59f0
  mfherbst

  authored
  a7b59f0

• Initial support for serialisation to JSON (JuliaMolSim#875)

  Show description for 8ce8872
  mfherbst

  authored
  8ce8872

Commits on Aug 15, 2023

• Collection of some documentation extensions and bugfixes (JuliaMolSim#873)

  mfherbst

  authored
  b1f7a57

Commits on Aug 8, 2023

• Fix Ewald routine early return (JuliaMolSim#869)

  epolack

  authored
  fa74cb7

Commits on Aug 6, 2023

• CompatHelper: bump compat for Spglib to 0.7, (keep existing compat) (JuliaMolSim#870)

  github-actions[bot]

  authored
  20daa74

Commits on Jul 20, 2023

• Fix GPU tests (JuliaMolSim#867)

  Show description for bfbe7af
  

  vchuravy

  and

  mfherbst

  authored
  bfbe7af

Commits on Jul 3, 2023

• Fix GPU CI (again) (JuliaMolSim#865)

  mfherbst

  authored
  ffe078f

Commits on Jul 2, 2023

• Parse element by number (JuliaMolSim#864)

  mfherbst

  authored
  c7af022

Commits on Jun 23, 2023

• Extend details on precompilation and developer setup (JuliaMolSim#862)

  mfherbst

  authored
  226494a

Commits on Jun 21, 2023

• API change for Ewald and pairwise computations (JuliaMolSim#853)

  Show description for 24ee2bd
  epolack

  authored
  24ee2bd

Commits on May 21, 2023

• Bump version: 0.6.8 → 0.6.9

  mfherbst

  committed
  e08cd2c

Commits on May 20, 2023

• Fix various smaller bugs (JuliaMolSim#860)

  mfherbst

  authored
  ba7eccf

Commits on May 18, 2023

• Bump version: 0.6.7 → 0.6.8

  mfherbst

  committed
  e607472

• Fix GPU CI by enforcing to run on CUDA 11 (JuliaMolSim#859)

  mfherbst

  authored
  904a6e2

Commits on May 17, 2023

• Switch to PrecompileTools (JuliaMolSim#857)

  mfherbst

  authored
  562a888

Commits on May 16, 2023

• Fix initial density guess generation for GPU runs (JuliaMolSim#850)

  Show description for 767b17f
  

  zhubonan

  and

  mfherbst

  authored
  767b17f

• Adjust tolerance (otherwise runs forever)

  mfherbst

  committed
  02537c8

Commits on May 15, 2023

• Fix sign in Fourier transform of projectors (JuliaMolSim#856)

  Show description for 434739f
  

  antoine-levitt

  and

  mfherbst

  authored
  434739f

Commits on Apr 14, 2023

• Bump version: 0.6.6 → 0.6.7

  mfherbst

  committed
  ff7f662

• Fix LAPACK non-orthogonality (JuliaMolSim#842)

  Show description for 6a8c25c
  

  antoine-levitt

  and

  mfherbst

  authored
  6a8c25c

Commits on Apr 6, 2023

• Add magnetic moment in precompilation (JuliaMolSim#846)

  antoine-levitt

  authored
  f31d9a9

Commits on Apr 5, 2023

• fix rounding in symmetry (JuliaMolSim#845)

  antoine-levitt

  authored
  fcd7065

Commits on Apr 3, 2023

• Less ambiguous SymOp doc (JuliaMolSim#840)

  Show description for 112c751
  

  epolack

  and

  LaurentVidal95

  authored
  112c751

Commits on Mar 31, 2023

• Bump version: 0.6.5 → 0.6.6

  mfherbst

  committed
  f795b27

• More graceful numerical checks (JuliaMolSim#839)

  Show description for 678c8e3
  mfherbst

  authored
  678c8e3

Commits on Mar 30, 2023

• Use AtomsIOPython in tests (JuliaMolSim#838)

  mfherbst

  authored
  d897bcf

Commits on Mar 22, 2023

• Bump version: 0.6.4 → 0.6.5

  mfherbst

  committed
  736d5c7

• Update Julia version in gitlab CI

  mfherbst

  committed
  0cbecb7

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