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SSCHAcode
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Phonons: q-only supercell diagonalization, in-place sort, LO-TO and AdjustQStar fixes
Python application
#545:
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Phonons: q-only supercell diagonalization, in-place sort, LO-TO and AdjustQStar fixes
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Rewrite ApplySymmetryToTensor3 with NumPy/BLAS (11x speedup)
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Merge pull request #123 from SSCHAcode/fix-issues-120-47
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Fix GoParallelTuple tuple truncation (\#120) and Tensor2 uninitialized phonon checks (\#47)
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Merge pull request #124 from SSCHAcode/fix-issue-36-broadcast
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Fix MPI broadcast 2 GB message-size limit (#36)
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Fix GoParallelTuple tuple truncation (\#120) and Tensor2 uninitialized phonon checks (\#47)
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Add Phonopy Integration documentation page
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Merge pull request #121 from krystophny/fix-load-phonopy-units
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Merge pull request #122 from ManexAlkorta/master
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Minor addition of some variables in SetupFromSpglib()
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Version 1.7.0: fix deprecated ASE APIs in get_dyn_from_ase_phonons
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Optimize ExtractRandomStructures: replace einsum with BLAS matrix mul…
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Minor addition of some variables in SetupFromSpglib()
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Fix units and force constant expansion in Phonons.load_phonopy
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Bump version 1.6.1 → 1.6.2
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Fixed a bug inside DiagonalizeSupercell with lo_to_splitting
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Bump version 1.6.0 → 1.6.1, fix LAPACK detection fallback for conda e…
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Add release notes for version 1.6.0
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Optimize SymmetrizeFCQ with vectorized coordinate conversions and q-s…
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Add get_primitive_cell() method to Structure class
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Fix NameError: add missing t_main_loop_start timer in DiagonalizeSupe…
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Optimize generate_supercell with O(N) set_tau_fast Fortran routine
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Optimize DiagonalizeSupercell with vectorized operations and pre-comp…
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