Code

Batched driver move abstraction#3762

Code

Merged

ye-luo merged 40 commits intoQMCPACK:developQMCPACK/qmcpack:developfrom camelto2:batched_driver_move_abstractioncamelto2/qmcpack:batched_driver_move_abstractionCopy head branch name to clipboardFeb 17, 2022

+773-307

Commits

Commits on Jan 21, 2022

• add abstraction layer in batched qmc

  camelto2

  committed
  a6d3e61

Commits on Jan 24, 2022

• add spin moves to abstraction

  camelto2

  committed
  b1c36c0

• add selection in VMCBatched

  camelto2

  committed
  c7a11ff

• add advanceWalkers<POSITIONS_SPINS> to vmcbatched

  camelto2

  committed
  5b8cd85

• add DMC move abstraction

  camelto2

  committed
  b71e250

• add advanceWalkers<POSITIONS_SPINS>

  camelto2

  committed
  39e809a

Commits on Jan 25, 2022

• Merge remote-tracking branch 'upstream/develop' into batched_driver_move_abstraction

  camelto2

  committed
  40dfce7

• add comments to MoveAbtraction class

  camelto2

  committed
  71ef608

• add docs for spin mass to batched drivers

  camelto2

  committed
  f46a9bf

• remove unused variable

  camelto2

  committed
  5169590

• move CoordsToMove enum to MoveAbstraction

  camelto2

  committed
  1f28c8b

• remove TWFdispatcher from MoveAbstraction, add elecs

  camelto2

  committed
  cd29a55

Commits on Jan 26, 2022

• separate mw_ spatial and spin moves in ParticleSet to individual APIs

  camelto2

  committed
  cdbe395

• change move to mover in drivers

  camelto2

  committed
  9132b29

• use golden_electrons to get spinor info

  camelto2

  committed
  b65d664

• use golden electrons

  camelto2

  committed
  7e4e77e

Commits on Feb 2, 2022

• Merge branch 'develop' into batched_driver_move_abstraction

  camelto2

  committed
  e77f2fe

Commits on Feb 7, 2022

• Merge remote-tracking branch 'upstream/develop' into batched_driver_move_abstraction

  camelto2

  committed
  34b4b7a

• remove extra definition of function

  camelto2

  committed
  ea7c681

Commits on Feb 8, 2022

• change MoveAbtraction to template on CoordsType

  camelto2

  committed
  8d0eab8

• use Taus object

  camelto2

  committed
  97a737c

Commits on Feb 9, 2022

• change MoveAbstraction members to use MCCoords

  camelto2

  committed
  b10e42d

• Merge remote-tracking branch 'upstream/develop' into batched_driver_move_abstraction

  camelto2

  committed
  fb1e55f

• Add template version of flex/mw_makeMove.

  ye-luo

  committed
  c98ed9c

• add template version of flex accept/reject

  camelto2

  committed
  fe2b054

• simplify check on CoordsType in MoveAbstraction

  camelto2

  committed
  28dc604

• add TWFGrads<CT> and template TWFdispatcher flex_ and DriftModifierBase

  camelto2

  committed
  c5991a4

• remove MoveAbstraction

  camelto2

  committed
  618b262

• call accept_rejectSpinMove first

  camelto2

  committed
  2f58150

Commits on Feb 10, 2022

• fix failing test

  camelto2

  committed
  877233d

Commits on Feb 11, 2022

• Fix template.

  ye-luo

  committed
  a6a2f15

• Add TauParams.hpp

  ye-luo

  committed
  4e5e965

• Simplify ContextForSteps

  ye-luo

  committed
  bda3f0b

Commits on Feb 15, 2022

• move switch from TWFdispatcher into TrialWaveFunction

  camelto2

  committed
  95ae489

Commits on Feb 16, 2022

• Merge pull request #1 from camelto2/move_switch_to_TWF

  Show description for 41236e9
  camelto2

  authored
  41236e9

• Update header info

  ye-luo

  committed
  60abdad

• update spinor tests to use templated APIs in ParticleSet

  camelto2

  committed
  c2220ae

• add unit test for TWFGrads

  camelto2

  committed
  22521d2

• Merge branch 'develop' into batched_driver_move_abstraction

  ye-luo

  authored
  6593e7a

• add test_TWFGrads to cmake

  camelto2

  committed
  3c7aeb6