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Batched Structure Factor Estimator#5247

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PDoakORNL wants to merge 10 commits intoQMCPACK:developQMCPACK/qmcpack:developfrom PDoakORNL:sk_est_1PDoakORNL/qmcpack:sk_est_1Copy head branch name to clipboard

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Commits

Commits on Dec 2, 2024

• initial compiling StructureFactorEstimator

  PDoakORNL

  committed
  ac9b10e

• beginning testing of sk estimator proper

  PDoakORNL

  committed
  97c5ff2

• continuing with test implementation and debug

  PDoakORNL

  committed
  5ab4072

• canning some test data

  PDoakORNL

  committed
  af6f64b

• accumulation unit test working

  PDoakORNL

  committed
  ab6eaba

• tired of not have checkVector adding it

  PDoakORNL

  committed
  b042a45

• improved output for test_StructureFactorEstimator

  PDoakORNL

  committed
  a9da4c3

• fix stale test data

  PDoakORNL

  committed
  c2e8bd0

• fix warnings.

  PDoakORNL

  committed
  05dabf0

• improvements suggested in review const, forward decl, naming

  PDoakORNL

  committed
  d0340c1