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Commits on Oct 11, 2024

• bug fix maintenance (#361)

  pprcht

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Commits on Oct 10, 2024

• Fix maxcycle stop in ANCOPT so that microiterations don't overshoot

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  9908b42

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• Nicer exit status handling (not yet refactored for entire code, but some important bits)

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  65e5140

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• Allow conversion of float to int and vice versa in TOML parsing

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  5467bdf

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Commits on Sep 27, 2024

• Fix multilevel activation for MD (#350)

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• Fixes #348

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Commits on Aug 29, 2024

• Remove double-allocation that may lead to crash in some GNU builds

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  5ca82fe

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• Update README.md with current conda installation info

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Commits on Aug 28, 2024

• Issue templates

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Commits on Aug 25, 2024

• Printout change for automated builds

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  af7eb99

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• CMake config: let tblite be found from modified fork (if git submodule was not initialized)

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  bbf8803

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Commits on Aug 22, 2024

• Fix I/O bug for GNU continuous release binary

  pprcht

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  3f6404b

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• debugging cont release

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  f5af38b

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Commits on Aug 21, 2024

• Update of GitHub workflows (#335)

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  a2d6ae0

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• Update README.md

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  f167933

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• try to add libopenblas

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  bffb0d2

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• Use correct gnu version for static build

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  28ee65c

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• Add gnu static build

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  f9bcf79

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• Enable static build via CMake

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  2e68dc1

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• Update README.md

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  b08fb29

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• Update build.yml

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  f9daddb

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• Update continuous-delivery workflow

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  6da6d5f

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• Update download-artifact version

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  1726622

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• Add continuous-delivery to build.yml

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Commits on Aug 20, 2024

• Customize build.yml

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  669cbd4

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• GH workflow revision

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  df346bf

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• Start revise GH workflow

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  6567ae6

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Commits on Aug 19, 2024

• Fixing implicit solvation in tblite and safer MKL handling (#331)

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Commits on Aug 17, 2024

• Adapt tblite fork with fixed implicit solvation

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  340ec32

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Commits on Aug 15, 2024

• fix printout

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  d0e78e1

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Commits on Aug 13, 2024

• repair handling of testmol.f90

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  0998418

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• remove overwrite of env%ref for energy-sorting-only CREGEN

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  c83cfbc

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• Edit cmd settings

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  86e6d3d

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Commits on Aug 12, 2024

• More changes for correct gcc/openblas build

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  e11448b

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Commits on Aug 11, 2024

• Take care of parallelization in tester

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