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orbital lock issue fix and improved mbpt #27

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merged 3 commits into from
Apr 10, 2018
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mfgu
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@mfgu mfgu commented Apr 10, 2018

openmp lock issue on orbitals array.

@mfgu mfgu merged commit 89bfd50 into flexible-atomic-code:master Apr 10, 2018
@mfgu mfgu deleted the dev branch April 10, 2018 23:22
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Thanks for fixing this.

I think it would be nicer if we would easily detect this kind of error for the future improvement.
Do you think of any simple test that would fail if we break this unintentionally?
The current tests could be passing.

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mfgu commented Apr 12, 2018 via email

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