Age | Commit message (Collapse) | Author |
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We have a pipe index (0 to n_read), not a process index (0 to n_proc).
These are two separate lists, with no correspondence between them.
See 7dbbfa4 for another fix related to this issue.
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Add F centering
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since asdf always finds primitive cell
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best solution if they're all too rubbish to hit the threshold - not tested
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decent peak list...
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Actually, disable the polarisation correction in the tests.
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Crash introduced by 775bbc2d. How silly of me.
Thanks to Ken Beyerlein for fixing this.
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list, not a single match, in preparation for being more thorough searching
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The "improved" version of this, added by 9b1374999 along with the new
spot position calculation for out-of-plane panels, actually assumes that
the reflection is at the exact Bragg condition. This is not a valid
assumption here. The difference is small (<0.5 px), but made the
prediction refinement gradients completely wrong.
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the theta angle is the minimum or maximum angle or whether to add Pi.
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