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Commits on Oct 8, 2025

• Enabled definition of the extension of growth rate figure in analyze.py

  

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Commits on Sep 3, 2025

• Moved LA arrays definition to defsystem.f and fixing a few things to ensure compatibility with newer fortran compilers

  

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Commits on Aug 27, 2025

• Updated readmes and import of pymulskips.io module within LA example ex4-LA-SiGe, to avoid mismatches with dolfin.io.

  

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• Updated scalef in PVD process for SiC growth from 0.43 to 0.46 to better match experimental data. Note that in our Adv. Quant. Tech. 2025 article we correctly used 0.46.

  

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Commits on Aug 7, 2025

• Updated SetShape.f to work also with 4H crystals (not blanket yet due to pbc contrained to 3C)

  

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Commits on May 5, 2025

• Added count_vacancies routine in pymulskips.analyze

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• Added return_surf_height functionality when analyzing growth rate

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Commits on Apr 7, 2025

• Fixed minor bug in setuprun.py

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Commits on Mar 20, 2025

• Update readthedocs

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• Update readthedocs

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• Update readthedocs

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• Updated shapes functionality. Still need to adjust SetShape.f to correctly set coordinations and probabilities when initializing an hexagonal phase.

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Commits on Mar 14, 2025

• Added readthedocs.yaml dummy file

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• Added readthedocs.yaml dummy file

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• Added readthedocs.yaml dummy file

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• Added readthedocs.yaml dummy file

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• Added readthedocs.yaml dummy file

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• Added readthedocs.yaml dummy file

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• Import io (process) pymulskips submodule only if dolfin (cantera) is installed. Added new functionality to read input geometries defined by intersecating crystals and geometric shapes e.g. using si…

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Commits on Dec 2, 2024

• Fixed minor bug when writing vacancy file

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• Fixed minor bug when writing vacancy file

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Commits on Nov 25, 2024

• Explicitly writing carbon and silicon vacancies in _v.xyz files

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Commits on Nov 15, 2024

• minor update in analyze.py

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Commits on Nov 14, 2024

• Removed _init_.py. Fixed minor things for compatibility with newer versions of fortran compilers and usage in WSL.

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Commits on Dec 11, 2023

• Updated README in examples folder. Examples 1,2,3 coming soon

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Commits on Jun 15, 2023

• Updated name of xml cantera database

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Commits on Jun 7, 2023

• Added example on SiGe:B with provisional calibration.

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• Added example notebook for CVD calibration

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• Added README on Example on B-doped SiGe with provisional calibration

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• Added Example on B-doped SiGe with provisional calibration

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Commits on Jun 6, 2023

• Update README.md

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• Update refs.bib

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• Update overview.rst

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• Fixed small typos in LA examples

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Commits on May 5, 2023

• New option in setuprun: setting mp=custom we can directly read a pre-existing start.dat in working dir, skipping the initialization of the mulskips class via pymulskips/process.py.

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