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Raising errors when restart files don't exist #422

Merged
merged 22 commits into from
Feb 23, 2022
Merged

Raising errors when restart files don't exist #422

merged 22 commits into from
Feb 23, 2022

Commits on Nov 11, 2021

  1. replace warning by error

    @samwaseda
    samwaseda committed Nov 11, 2021
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  2. Function to check if a file exists in a job's working dir

    @sudarsan-surendralal
    sudarsan-surendralal committed Nov 11, 2021
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  3. Avoid duplicate code: use base method

    @sudarsan-surendralal
    sudarsan-surendralal committed Nov 11, 2021
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  4. more explicit warnings

    @freyso
    freyso committed Nov 11, 2021
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  5. Improving testing

    @sudarsan-surendralal
    sudarsan-surendralal committed Nov 11, 2021
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  6. Add the working directory to the error mssg 

    Co-authored-by: @freyso
    @sudarsan-surendralal
    sudarsan-surendralal committed Nov 11, 2021
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  7. Fix tests

    @sudarsan-surendralal
    sudarsan-surendralal committed Nov 11, 2021
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  8. Use this for LAMMPS and SPHINX too!

    @sudarsan-surendralal
    sudarsan-surendralal committed Nov 11, 2021
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  9. Merge remote-tracking branch 'origin/spx_restart_from_charge_density_… 

    …CF' into restart_error

# Conflicts:
#	pyiron_atomistics/sphinx/base.py
    @sudarsan-surendralal
    sudarsan-surendralal committed Nov 11, 2021
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  10. Refactor to single function that checks and returns correct path 

    Co-authored-by: Sam Waseda <o.waseda@mpie.de>
    @sudarsan-surendralal @samwaseda
    sudarsan-surendralal and samwaseda committed Nov 11, 2021
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  11. rename ensure_file_exists_and_return to get_workdir_file

    @freyso
    freyso committed Nov 11, 2021
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Commits on Nov 18, 2021

  1. Update pyiron_base version

    @sudarsan-surendralal
    sudarsan-surendralal committed Nov 18, 2021
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  2. Update pyiron_base version

    @sudarsan-surendralal
    sudarsan-surendralal committed Nov 18, 2021
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  3. Fix mamba version (pyiron/pyiron_base@41a5fd1)

    @sudarsan-surendralal
    sudarsan-surendralal committed Nov 18, 2021
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  4. bump h5io version

    @sudarsan-surendralal
    sudarsan-surendralal committed Nov 18, 2021
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Commits on Nov 27, 2021

  1. Merge remote-tracking branch 'origin/master' into restart_error 

    # Conflicts:
#	.ci_support/environment.yml
#	setup.py
    @sudarsan-surendralal
    sudarsan-surendralal committed Nov 27, 2021
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Commits on Jan 18, 2022

  1. Merge remote-tracking branch 'origin/master' into restart_error 

    # Conflicts:
#	.github/workflows/backwards.yml
#	.github/workflows/benchmarks.yml
#	.github/workflows/coverage.yml
#	.github/workflows/docs.yml
#	.github/workflows/notebooks.yml
    @sudarsan-surendralal
    sudarsan-surendralal committed Jan 18, 2022
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  2. Don't start automatically from wave functions/ charge density

    @sudarsan-surendralal
    sudarsan-surendralal committed Jan 18, 2022
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  3. revert mamba version

    @sudarsan-surendralal
    sudarsan-surendralal committed Jan 18, 2022
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Commits on Jan 19, 2022

  1. Update tests_sphinx_sphinx_check_all.ipynb

    @sudarsan-surendralal
    sudarsan-surendralal committed Jan 19, 2022
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Commits on Feb 22, 2022

  1. Merge branch 'master' into restart_error

    @jan-janssen
    jan-janssen committed Feb 22, 2022
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  2. Format black

    @pyiron-runner
    pyiron-runner committed Feb 22, 2022
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