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release_notes.txt
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6.17.02 RELEASE 2024_08_29
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DISCUS
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- fourier BUG FIX NUFFT did not work properly for large DELT(hkl) steps
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- fourier Improved lanczos filter to work in slices along small dimensions
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- mmc BUG FIX, site restrictions on atom tyes at different sites did not work
+ fourier BUG FIX NUFFT did not work properly for large DELTA(hkl) steps
+ fourier Improved lanczos filter to work in slices along small dimensions == large DELTA(hkl) steps
+ mmc BUG FIX, site restrictions on atom types at different sites did not work
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REFINE
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convergence Added a fourth convergence criterion that stops if lambda becomes too large
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Improved output of "refine_best.mac and "refine_new.res"
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