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Update mean-field scripts#1020

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raynol-dsouza wants to merge 31 commits intomainpyiron/pyiron_contrib:mainfrom mean_fieldpyiron/pyiron_contrib:mean_fieldCopy head branch name to clipboard

+3,027-2,003

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Commits on Nov 21, 2023

• Add parameterization of 2 and 3nn

  

  Raynol Dsouza

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  52b2649

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Commits on Jan 23, 2024

• update core

  

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Commits on Jan 31, 2024

• new mean-field model class

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• Remove P_offset from npt

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Commits on Feb 4, 2024

• up to 5nn

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Commits on Feb 15, 2024

• integrate bcc

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  8e3f8a3

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Commits on Feb 23, 2024

• Add new hessian class

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Commits on Feb 24, 2024

• Update classes

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Commits on Mar 25, 2024

• update scripts

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• Merge branch 'main' into mean_field

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• Code black

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Commits on Mar 26, 2024

• Update to run for DFT

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  8bb5a3e

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Commits on Jun 12, 2024

• Updates and clean-up

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Commits on Jun 17, 2024

• Update bond_analysis.py

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Commits on Jul 15, 2024

• update scripts

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  18dbc57

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Commits on Jul 16, 2024

• Functional changes

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• Pass structure as input

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• Remove wild 'resources'

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• Add status and call to_hdf

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Commits on Oct 30, 2024

• update bond analysis

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  0e7239b

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• update hessian

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  a6593ed

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• update la_potential

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• update local_approximation

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• update mean_field_model

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• update mean_field

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• [dependabot skip] Update env file

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Commits on Nov 4, 2024

• scaled bonding potentials

  raynol-dsouza

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• add scaled_bonding_potentials to script

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  06bc0d3

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• correct sign

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• correct sign 2

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Commits on Jan 14, 2025

• Update

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