Fixed construction of nojump trajectory for triclinic box case
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@ -156,7 +156,7 @@ def nojump(frame: CoordinateFrame, usecache: bool = True) -> CoordinateFrame:
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[m[i0 : abstep + 1].sum(axis=0) for m in reader.nojump_matrices]
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).T
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)
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* frame.box.diagonal()
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@ frame.box
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)
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reader._nojump_cache[abstep] = delta
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@ -173,7 +173,7 @@ def nojump(frame: CoordinateFrame, usecache: bool = True) -> CoordinateFrame:
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]
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).T
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)
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* frame.box.diagonal()
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@ frame.box
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)
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return frame - delta
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