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Pyiron job for Extra FIM simulations#8

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skatnagallu wants to merge 22 commits intomaineisenforschung/EXTRA_FIM:mainfrom pyiron_job_skeisenforschung/EXTRA_FIM:pyiron_job_skCopy head branch name to clipboard

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Commits on Mar 7, 2024

• testing a pyiron job

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• deleted test waves

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• changes to pyironjob to output file in the job directory

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• small bugs

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• deleted .vscode

  

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Commits on Mar 8, 2024

• fixed jobgenerator

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• fixing pyiron_job ExtraFimSimulator

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• A pre-release working version of pyiron job for extra fim simulations

  

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• deleted unnecessary files

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Commits on Mar 11, 2024

• Some minor changes to import orders and statements.

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• changes to import statements

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Commits on Mar 19, 2024

• Update EXTRA_FIM/datautils/plotting.py

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• Update EXTRA_FIM/datautils/pre_processing.py

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• Update EXTRA_FIM/extra.py

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• Update EXTRA_FIM/main.py

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• Update EXTRA_FIM/pyiron_job.py

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• Update EXTRA_FIM/pyiron_job.py

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Commits on Mar 20, 2024

• removed repeated functions

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• bug in method name

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• bug fix for suggest_input_dict

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• bugfix

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• bugfix in suggest_input_dict

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