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BCME documentation - #494

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bcme-adaptive-timestep
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BCME documentation#494
Alexsp32 wants to merge 2 commits into
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bcme-adaptive-timestep

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@Alexsp32

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We don't currently have a full documentation page for BCME, this ought to be changed. Sources for the method are already given in the docstrings, and the unit test with reference data would work as a tutorial for running the method.
The documentation page also needs a hint about adaptive timestepping since that's caused confusion in the past.

Fix for #489.

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@claude[agent] Please add a page for the CME/BCME method to the other dynamics methods pages as specified above.

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Claude AI commented Jun 10, 2026

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@claude[agent] Please add a page for the CME/BCME method to the other dynamics methods pages as specified above.

Added a CME/BCME documentation page at docs/src/dynamicssimulations/dynamicsmethods/cme.md in commit 8e69d13. The page includes:

  • Theory sections for both CME and BCME with the relevant equations
  • A note about adaptive time stepping (mentioning abstol/reltol and adaptive=false options)
  • A CME example demonstrating phonon relaxation simulation with the Anderson-Holstein model
  • A BCME example showing position equilibration
  • Citations to the Dou et al. papers (which were also added to references.bib)

@Alexsp32
Alexsp32 requested a review from Nhertl June 10, 2026 08:07
@Alexsp32
Alexsp32 marked this pull request as ready for review June 10, 2026 08:08
@Alexsp32 Alexsp32 self-assigned this Jul 10, 2026
@Alexsp32
Alexsp32 force-pushed the bcme-adaptive-timestep branch 2 times, most recently from 12dd842 to 4e77b30 Compare July 22, 2026 12:52
@Alexsp32
Alexsp32 force-pushed the bcme-adaptive-timestep branch from 4e77b30 to 6f22f55 Compare August 12, 2026 06:54
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