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Feature: Add fix symmetry constraint #438
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d0ab8e4
initial FixSymmetry
3d4880e
style
13b9795
Merge branch 'main' into fix_symmetry_constraint
orionarcher 0d08bba
style
29472af
style
5d7b5b0
fix
22f019d
bump spglib
fb6e234
fix
6556453
Merge branch 'main' into fix_symmetry_constraint
abhijeetgangan c6a8d0f
fix FixSymmetry.merge() producing duplicate system indices with autob…
eac42b6
use set_constrained_cell in lbfgs_step for FixSymmetry support
7bedb3a
Merge branch 'main' into fix_symmetry_constraint
janosh 8aed11d
add regression tests for FixSymmetry fixes, clean up constraint code
janosh 73532ac
switch from spglib to moyopy, address PR review comments
janosh aff7b65
simplify FixSymmetry implementation, improve robustness
janosh c770bcc
fix SystemConstraint.merge producing duplicate indices for multi-syst…
janosh cea861d
refactor constraint merging: split into reindex() + merge()
janosh e6bcacb
add regression tests, simplify test structure
janosh a16d4b5
harden FixSymmetry constraint and clean up code
janosh File filter
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