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MM part for nuclear gradients #32

Merged
merged 2 commits into from
Nov 24, 2020
Merged

MM part for nuclear gradients #32

merged 2 commits into from
Nov 24, 2020

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maxscheurer
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@maxscheurer maxscheurer commented Nov 19, 2020

Implement eq 14 and 18 from J. Chem. Phys. 142, 034119 (2015).

  • equations 14 and 18
  • fdiff tests
  • exposure via CppeState?

@maxscheurer maxscheurer merged commit 93560be into master Nov 24, 2020
@maxscheurer maxscheurer deleted the mm_grad branch November 24, 2020 17:55
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