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Fix BMEOS to use Birch-Murnaghan equation instead of Murnaghan equation #81
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Co-authored-by: jochym <5993422+jochym@users.noreply.github.com>
Co-authored-by: jochym <5993422+jochym@users.noreply.github.com>
Co-authored-by: jochym <5993422+jochym@users.noreply.github.com>
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Make internal function naming consistent
elastic/elastic.py
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| # Inverse Murnaghan EOS to get volumes from pressures | ||
| # This will work only in limited pressure range p>-B/B'. | ||
| # Warning! Relative, the V0 prefactor is removed. | ||
| def invbmeos(b, bp, x): |
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This should also beem modified (mame). This is inverse Murnaghan not Birch- Murnaghan @copilot
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Renamed invbmeos to invmurneos and updated the comment on line 624 to say "Murnaghan EOS" instead of "B-M EOS" for consistency. Fixed in fd4faaa.
Co-authored-by: jochym <5993422+jochym@users.noreply.github.com>
Plan for Fixing Birch-Murnaghan EOS
Summary
Successfully implemented the correct 3rd-order Birch-Murnaghan equation of state, replacing the incorrect Murnaghan equation that was previously used. All tests pass, documentation is updated, and internal naming is now consistent.
Key Changes:
Original prompt
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