Age | Commit message (Collapse) | Author |
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included\!
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for the quick check, but not necessarily good
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a number of crystals
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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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