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RMG v6.1.0

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@elbriggs elbriggs released this 20 Jun 22:37
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RMG v6.1.0 is a bug fix and feature enhancement release.

Bug fixes:
An unnecessary symmetrization was inadvertently enabled for gamma point calculations. While this had
no impact on results or on performance for small problems it caused a significant initialization slowdown for
large gamma point calculations.

New features:
The adaptive finite difference code has been rewritten and uses a new polynomial curve fitting algorithm.
An initial implementation of adaptive interpolation is now enabled by default. This improves the accuracy of stress calculations at lower grid densities/cutoffs. It can be disabled via an input file option if the previous behavior is desired.

Test cases have been updated since the new features caused small changes in energies/forces/stress.