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Omp reduction bugfix #95
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Local builds pass but travis fail, but I assume that the changes made should be more robust
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Reverted change to test since they failed on travis. |
andersx
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Nov 13, 2018
zaspel
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Jul 29, 2019
* Minor formatting changes. Removed omp from a loop that didn't seem safe. * Fixed omp issue that resulted in inconsistent sorting * Revert changes to test. Local builds pass but travis fail, but I assume that the changes made should be more robust
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This seem to fix the issue where some molecules would get slightly different sorting on different systems.
I changed a few OMP loops and did some formatting changes in frepresentations.f90
I updated the atomic_cm tests to not have the "mismatchs < 5" condition.