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New AFQMC estimators #2097

Merged
merged 12 commits into from
Nov 14, 2019
Merged

New AFQMC estimators #2097

merged 12 commits into from
Nov 14, 2019

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fdmalone
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Implements:

  1. On-top pair density
  2. Contracted 1RDM
  3. 2RDM

Testing and examples to come down the line.

@qmc-robot
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Can one of the admins verify this patch?

@prckent prckent changed the title New estimators New AFQMC estimators Nov 13, 2019
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prckent commented Nov 13, 2019

Test this please

@mmorale3 mmorale3 merged commit f43669d into QMCPACK:develop Nov 14, 2019
@mmorale3 mmorale3 deleted the new_estimators branch December 6, 2019 18:41
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4 participants