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jwohlwend / boltz Public

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Fixed --write_full_pae and --write_full_pde options. Fixes #585#602

Open

tomgoddard wants to merge 4 commits intojwohlwend:mainjwohlwend/boltz:mainfrom

RBVI:pae_pde_fixRBVI/boltz:pae_pde_fixCopy head branch name to clipboard

Conversation Commits4 (4)Checks Files changed

Open

Fixed --write_full_pae and --write_full_pde options. Fixes #585#602
tomgoddard wants to merge 4 commits intojwohlwend:mainfrom
RBVI:pae_pde_fix

Commits

Commits on Oct 24, 2025

Implemented --write_full_pae and --write_full_pde options for boltz2. Previously these options were available but ignored by the code and the PAE and PDE files were always written for boltz2 predi…
tomgoddard
committed

Commits on Oct 27, 2025

Added --no_write_full_pae and --no_write_full_pde to documentation options table.
tomgoddard
committed
Try to get the options documentation table to put --write_full_pae and --no_write_full_pae on separate lines.
tomgoddard
committed
Fix quotation mark in options table --write_full_pde documentation.
tomgoddard
committed

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