All tests pass in Beta, many new changes have been introduced, i think we're ready for another release#65
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tpchuckles wants to merge 48 commits intomainfrom
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All tests pass in Beta, many new changes have been introduced, i think we're ready for another release#65tpchuckles wants to merge 48 commits intomainfrom
tpchuckles wants to merge 48 commits intomainfrom
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…al, useful for decoherence
…robe positions yet
various small changes merging into dev for testing
… easy reading later
…tacaw caches exist for disk savings
…HAADFData - New PySliceSerial mixin handles tensor→numpy, Path→str, list[tuple]→array conversions - Each data class defines _sea_config for automatic serialization - Removed manual to_hdf5_group override from WFData - Added probe_xs/probe_ys derivation from probe_positions in calculator - Fixed n_frames → self.n_frames bug in cleanup loop
- New weights_path param allows loading ORB weights from local path - Added compile=False to non-MPS branch to avoid slow torch.compile - Fixed timestep_ps to account for save_interval between frames
… the translation aliasing funcs
…s for inheritance so pySEA is an optional import
copying many recent straight-to-main changes back to staging and beta
Revert "copying many recent straight-to-main changes back to staging and beta"
trying to merge recent straight-to-main changes into beta
…ing coordinates in tests 03 04 04_ab 17 18 19 20 so new unflipped probe positions line up with old flipped probe positions
all tests pass in staging, lots of changes, pulling up to beta
pull slurm changes down to staging
sync beta from staging
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recent changes include:
~ fixes for loading
~ pySEA integration
~ fixes probe position flipping
~ decoherence
~ potentials can be created from arbitrary arrays (e.g., forward outlook towards ptycho or charge density)
kx,ky array caching for easy pure-numpy reloading for easier data sharing