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Commits on Feb 20, 2025

• multiply with empty CompFunctions

  

  gitpeterwind

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  ilfreddy

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• Merge pull request MRChemSoft#253 from gitpeterwind/merge

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  gitpeterwind

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• cleanup

  gitpeterwind

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• Merge branch 'master' of github.com:MRChemSoft/mrcpp into merge

  gitpeterwind

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• macos fix for metric. remove norm_overlap

  gitpeterwind

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Commits on Feb 19, 2025

• mpi reduce for no mpi

  gitpeterwind

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Commits on Feb 18, 2025

• Merge pull request MRChemSoft#249 from gitpeterwind/text

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  ilfreddy

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Commits on Feb 7, 2025

• Merge branch 'text' of github.com:gitpeterwind/mrcpp into merge

  gitpeterwind

  committed
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• docs typo

  gitpeterwind

  committed
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• Merge branch 'master' of github.com:MRChemSoft/mrcpp into merge

  gitpeterwind

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Commits on Feb 6, 2025

• Merge pull request MRChemSoft#252 from stigrj/authors

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  stigrj

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• Update Catch to v3.8.0

  stigrj

  committed
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• Update author list in zenodo

  stigrj

  committed
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Commits on Feb 4, 2025

• Merge branch 'master' into text

  ilfreddy

  authored
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• Remove macos-12 test (temporarily)

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  Gabrielgerez

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  ilfreddy

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Commits on Jan 28, 2025

• std17 and PR review requests

  gitpeterwind

  committed
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• std17 and PR review requests

  gitpeterwind

  committed
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• std17 and PR review requests

  gitpeterwind

  committed
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Commits on Jan 24, 2025

• removed the defaultMetric from apply.cpp

  gitpeterwind

  committed
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• clang-format

  gitpeterwind

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Commits on Dec 30, 2024

• Merge remote-tracking branch 'origin' into merge

  gitpeterwind

  committed
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Commits on Dec 23, 2024

• read and write set of orbitals

  gitpeterwind

  committed
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Commits on Dec 19, 2024

• read and write orbitals in text format

  gitpeterwind

  committed
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Commits on Oct 21, 2024

• negative coefficients alpha in Gaussian expansion (MRChemSoft#247)

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  edinvay

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Commits on Sep 3, 2024

• Merge pull request MRChemSoft#243 from msnik1999/mom

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  stigrj

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Commits on Aug 28, 2024

• Merge branch 'master' of github.com:MRChemSoft/mrcpp into FourComponents

  gitpeterwind

  committed
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• soft multiplicative factor for components

  gitpeterwind

  committed
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Commits on Aug 26, 2024

• redefined alloc for components

  gitpeterwind

  committed
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• mixed complex/real linear combination

  gitpeterwind

  committed
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Commits on Aug 23, 2024

• all tests passes

  gitpeterwind

  committed
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Commits on Aug 22, 2024

• orthogonalize for complex type

  gitpeterwind

  committed
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Commits on Aug 21, 2024

• multiply, apply, rescale, mixed types

  gitpeterwind

  committed
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Commits on Aug 15, 2024

• Changing occupancies from integer to double

  

  lratcliff

  authored and

  msnik1999

  committed
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Commits on Aug 14, 2024

• dagger, serial rotate and overlap

  gitpeterwind

  committed
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Commits on Aug 7, 2024

• miniconda setup version change 2->3

  ilfreddy

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