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Commits on Oct 15, 2020

• Add unit and adjust tolerance

  mkrack

  committed
  7e081e9

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• Adjust tolerances

  mkrack

  committed
  6da724d

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• Add COMPONENTS and drop NDIGITS keyword in stress tensor output, adjust regression test types and tolerances

  mkrack

  committed
  8605141

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Commits on Oct 14, 2020

• Adjust tolerance

  mkrack

  committed
  6cd7276

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• Adjust tolerances

  mkrack

  committed
  8d276f1

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• Provide more digits for the reference value

  mkrack

  committed
  7b78d28

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• Update test types for revised MD output

  mkrack

  committed
  e76148c

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Commits on Oct 9, 2020

• Adjust tolerance of QS/regtest-gpw-2-3/hcn_meta_chaincoord.inp

  oschuett

  committed
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Commits on Oct 5, 2020

• Adjust tolerances

  mkrack

  committed
  a682cb5

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• Adjust tolerance

  mkrack

  committed
  2d61604

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Commits on Oct 3, 2020

• task_list: Simplify matrix symmetry handling in integrate_v_rspace

  oschuett

  committed
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Commits on Sep 30, 2020

• Adjust 9 thresholds due to new integrate implementation

  oschuett

  committed
  a5986e6

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Commits on Sep 24, 2020

• Stabilize tests/QS/regtest-dm-ls-scf-3/C_TRS4.inp

  oschuett

  committed
  e6ace1d

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• Adjust 9 thresholds due to faster collocate general kernel

  oschuett

  committed
  b220848

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• Adjust 18 thresholds due to faster collocate general kernel

  oschuett

  committed
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Commits on Sep 23, 2020

• Adjust 34 thresholds due to faster collocate general kernel

  oschuett

  committed
  b3beb5c

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Commits on Sep 13, 2020

• Stabilize Fist/regtest-3/ace_ala_nme-amber.inp

  oschuett

  committed
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Commits on Sep 11, 2020

• Use raw Amber parameters for dihedrals

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  vamironov

  authored
  331d841

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Commits on Sep 5, 2020

• remove deprecated regtest

  pseewald

  committed
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Commits on Sep 3, 2020

• Touch up Chargemol output

  oschuett

  committed
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Commits on Sep 1, 2020

• Low-scaling RPA/GW: Improve output; Low-scaling GW: Use RI by default for exchange self-energy (cp2k#1073)

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  JWilhelm

  and

  Jan Wilhelm

  authored
  3a793de

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Commits on Aug 31, 2020

• DFTB debug dipole moments

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  juerghutter

  committed
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Commits on Aug 27, 2020

• grid: Support multiple backends and print stats

  oschuett

  committed
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Commits on Aug 25, 2020

• Format Markdown files to comply with Linter

  oschuett

  committed
  243f8aa

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Commits on Aug 18, 2020

• XAS_TDP| Added OT iterative solver

  abussy

  committed
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Commits on Aug 10, 2020

• MGGA stress tensor for GPW method (cp2k#1026)

  juerghutter

  authored
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Commits on Aug 6, 2020

• Fix ADMM in combination with GW

  OndrejMarsalek

  authored
  6b106eb

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Commits on Jul 18, 2020

• task_list: Simplify matrix symmetry handling, two regtests updated

  oschuett

  committed
  460a82c

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Commits on Jul 14, 2020

• Bug fix: LSD XC Kernel (cp2k#989)

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  juerghutter

  authored
  d6ab4f1

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Commits on Jul 10, 2020

• Adjust threshold of QMMM/QS/regtest-3/constr_hb_mm.inp

  oschuett

  committed
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Commits on Jul 8, 2020

• Adjust 3 thresholds due to new collocate implementation

  oschuett

  committed
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Commits on Jul 7, 2020

• Regtests for new direct submatrix sign solvers

  

  michaellass

  authored and

  oschuett

  committed
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Commits on Jul 6, 2020

• Adjust 4 thresholds due to new collocate implementation

  oschuett

  committed
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Commits on Jul 2, 2020

• Fixe a problem for gal19 and the test

  

  pclabaut

  authored and

  oschuett

  committed
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Commits on Jul 1, 2020

• Adjust tolerance

  mkrack

  committed
  66176c8

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