Complete reorthogonalization, KPM algorithm, and time-reversal symmetry fixes - #26

Merged

mesonepigreco merged 21 commits into

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reorthogonalization

Apr 20, 2026

Commits on Apr 1, 2026

Added a new flag to QSpaceLanczos to enforce orthonormalization
mesonepigreco
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cd4468d
Removed temporary files from the repository
mesonepigreco
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a182f70
Add QSpaceKPM: Kernel Polynomial Method for spectral functions in q-space
mesonepigreco
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3f90fdd
Add save/load KPM, verbose moment printing, and MPI-safe parallel output
mesonepigreco
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f0e98a0
Add KPM support to tdscha-plot.py
mesonepigreco
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b961359
Add KPM support to cli.py plot function
mesonepigreco
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6219100
Fix ensemble=None handling in QSpaceKPM and QSpaceLanczos
mesonepigreco
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7be8803
Fix cli.py argument parsing for optional w_start/w_end
mesonepigreco
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4cfcc97
Fix KPM spectral function baseline offset and add step estimation
mesonepigreco
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96a6248
Add KPM documentation page
mesonepigreco
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8808dac
Fix irreducible q-point detection in QSpaceHessian with time-reversal symmetry
mesonepigreco
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bce7611

Commits on Apr 2, 2026

Add MPI-distributed configuration loading for Q-space modules
mesonepigreco
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d89fe09

Commits on Apr 4, 2026

Add KPM save/restore and continuation support
mesonepigreco
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6a03473
Improve distributed memory loading for KPM
mesonepigreco
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0981b29

Commits on Apr 5, 2026

Commits on Apr 9, 2026

Commits on Apr 12, 2026

Add checkpointing documentation and test for QSpaceHessian
mesonepigreco
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ead936a

Commits on Apr 13, 2026

Added the documentation for the QSpaceHessian checkpoint
mesonepigreco
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f26ccb8

Commits on Apr 15, 2026

Modify continued fraction: pick smallest |gf| terminator branch; add smooth_ramp to blend coefficients linearly towards mean
mesonepigreco
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0c19938