Code

Virtual move Monte Carlo#1969

Code

Draft

tcmoore3 wants to merge 48 commits intotrunk-minorglotzerlab/hoomd-blue:trunk-minorfrom feature-virtual-move-monte-carloglotzerlab/hoomd-blue:feature-virtual-move-monte-carloCopy head branch name to clipboard

+1,654-3

Commits

Commits on Sep 10, 2024

• Python class for virtual cluster move updater

  tcmoore3

  committed
  a9e1195

• Add virtual move updater class

  tcmoore3

  committed
  198f109

• Fix missing instruction error on mac for jit builds

  tcmoore3

  committed
  23b1375

• Add random number identifier

  tcmoore3

  committed
  960b595

• Changes

  tcmoore3

  committed
  dffcf96

Commits on Sep 11, 2024

• More additions

  tcmoore3

  committed
  19830d6

• More changes

  tcmoore3

  committed
  3ad099c

Commits on Sep 12, 2024

• VMMC updater compiles

  tcmoore3

  committed
  ac59cfe

• VMMC updater runs and does cluster moves

  tcmoore3

  committed
  c1a04d8

Commits on Sep 25, 2024

• Skip to next seed when inactive particle selected

  tcmoore3

  committed
  f0f7a15

Commits on Sep 26, 2024

• Add vmmc counters

  tcmoore3

  committed
  e601b0c

Commits on Sep 30, 2024

• Add average cluster size and ficticious_beta

  tcmoore3

  committed
  de3225c

Commits on Oct 1, 2024

• Start implementing rotation moves

  tcmoore3

  committed
  b78383b

Commits on Oct 4, 2024

• Seems to be working

  tcmoore3

  committed
  ccb2b0d

Commits on Oct 7, 2024

• Fix some bugs found during stress testing: things seem right.

  tcmoore3

  committed
  bd909a8

Commits on Oct 8, 2024

• Some cleanup

  tcmoore3

  committed
  508be04

Commits on Oct 14, 2024

• Update counters

  tcmoore3

  committed
  5219167

• Make beta_ficticious a variant

  tcmoore3

  committed
  2db0293

• More counter updates

  tcmoore3

  committed
  73b70ce

• Reduce allocations for temporary data containers and update python file

  tcmoore3

  committed
  0868941

• Rename LinkerData to ClusterData

  Show description for bce2d14
  tcmoore3

  committed
  bce2d14

• Add limits to the sizes of clusters that can be moved.

  tcmoore3

  committed
  e6ad05a

• Fix calculation of q_ij_forward

  tcmoore3

  committed
  28f3f41

• Update python class

  tcmoore3

  committed
  a30777c

Commits on Oct 16, 2024

• Fix bug in rotation moves

  Show description for 22111a5
  tcmoore3

  committed
  22111a5

Commits on Oct 18, 2024

• Add stuff for selectively rebuilding the AABB tree

  Show description for 3e97fc3
  tcmoore3

  committed
  3e97fc3

• Check that linker is active now and after virtual move

  Show description for 697fd88
  tcmoore3

  committed
  697fd88

Commits on Oct 19, 2024

• Try commenting out some stuff to fix error in mpi

  tcmoore3

  committed
  e268c6d

Commits on Oct 21, 2024

• Add option to rebuild AABBTree when needed

  tcmoore3

  committed
  3b7c2ee

• Add static_linking_mode

  Show description for 1eeedf9
  tcmoore3

  committed
  1eeedf9

• Use the instance ID

  tcmoore3

  committed
  5e0fc96

Commits on Nov 5, 2024

• Add option to draw a random beta_ficticious

  tcmoore3

  committed
  1f69356

• Rename a variable

  tcmoore3

  committed
  bc58b64

• Always invalidate AABBTree at the end of update()

  Show description for 3d8694d
  tcmoore3

  committed
  3d8694d

• Enable virtual cluster moves for spheropolyhedra

  tcmoore3

  committed
  80382e1

• Enable virtual cluster moves for sphere unions

  tcmoore3

  committed
  d052302

Commits on Dec 12, 2024

• Merge remote-tracking branch 'origin/trunk-minor' into feature-virtual-move-monte-carlo

  tcmoore3

  committed
  5403695

• Update VMMC for v5 compatibility

  tcmoore3

  committed
  710ebcf

Commits on Dec 13, 2024

• Update python documentation for vmmc updater

  tcmoore3

  committed
  b593fc7

Commits on Dec 16, 2024

• Update docs and remove some experimental vmmc features

  Show description for 4fe5cd1
  tcmoore3

  committed
  4fe5cd1

• Update virtual move counters and loggables

  tcmoore3

  committed
  ff3733e

• Remove beta_ficticious from python constructor

  tcmoore3

  committed
  5115443

• Run clang-format

  tcmoore3

  committed
  e4fb81a

• Scope the use of array handles for position and orientation

  tcmoore3

  committed
  925eeca

Commits on Dec 18, 2024

• Add buffer for when to rebuild aabbtree and remove always_build_tree option

  Show description for 81d4c47
  tcmoore3

  committed
  81d4c47

• Move buildAABBTree call from top of seed loop and scope array handles

  Show description for 804db1b
  tcmoore3

  committed
  804db1b

• Fix logging category

  tcmoore3

  committed
  b1100d2

• Do not wrap particles until rebuilding the tree

  Show description for 33c16cf
  tcmoore3

  committed
  33c16cf