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ab54323
init add
garrettwrong Mar 27, 2024
f8cff85
fix typos
garrettwrong Mar 27, 2024
e61fbb2
cleanup S init and usage, func names, etc
garrettwrong Apr 2, 2024
2f087d1
stub in W
garrettwrong Apr 4, 2024
0f77241
stub in W
garrettwrong Apr 5, 2024
1d3cbef
begin stubbing in actual S weight computation
garrettwrong Apr 5, 2024
906aa2d
fix typo bug
garrettwrong Apr 8, 2024
8b14db3
fix rot reshape bug and stub in probability_scores
garrettwrong Apr 8, 2024
c11b908
stub in triangle scores and pair probabilities
garrettwrong Apr 9, 2024
11e040b
tox checks
garrettwrong Apr 9, 2024
244613a
light cleanup
garrettwrong Apr 9, 2024
21fb193
J weighting
garrettwrong Apr 10, 2024
9fbe9ff
add note about possible ij jk bug
garrettwrong Apr 10, 2024
2e5e11f
hack in cupy kernel
garrettwrong Apr 11, 2024
7a6752e
quick test file
garrettwrong Apr 11, 2024
1f988a8
stashing
garrettwrong Apr 11, 2024
2712c08
black
garrettwrong Apr 11, 2024
1583cec
debug
garrettwrong Apr 11, 2024
b44dea6
stashing, cupy code mostly works
garrettwrong Apr 12, 2024
6cd6886
still debating that bug, but stashing here
garrettwrong Apr 12, 2024
37c2f34
autoconf gpu
garrettwrong Apr 16, 2024
ee8d87b
rm debug comments after checking matmul
garrettwrong Apr 23, 2024
ea391fb
fixup Rijk_lmnop muls
garrettwrong Apr 23, 2024
46c72db
re-implement matmul
garrettwrong Apr 24, 2024
e7e4e29
add pairs prob kernel
garrettwrong Apr 24, 2024
fe168d7
add triangle scores cupy kernel
garrettwrong Apr 26, 2024
6d6fe60
initial bulk refactor
garrettwrong Apr 26, 2024
a6ad9f1
initial cupy comparison test add
garrettwrong Apr 26, 2024
854a0bf
cleanup cl3n compare test a little
garrettwrong Apr 26, 2024
41e68c8
rm merged test file
garrettwrong Apr 26, 2024
61d3498
fixup manifest
garrettwrong Apr 26, 2024
d571349
remove unused cum_scores
garrettwrong Apr 26, 2024
1aacb72
atomic stv
garrettwrong Apr 29, 2024
9fba485
convert remaining kernels to use atomics instead of naive array safety
garrettwrong Apr 29, 2024
a834b2f
add some documentation
garrettwrong Apr 29, 2024
98aa274
more cleanup
garrettwrong Apr 29, 2024
8161a21
looks like this actually needs double precision.
garrettwrong Apr 29, 2024
accdc93
fix precision bug in CL sync3n power method.
garrettwrong Apr 29, 2024
14dfb1c
fixup some of the dtypes
garrettwrong Apr 29, 2024
1af210f
conditionally run host-gpu comparison
garrettwrong Apr 29, 2024
a53cd20
add MATLAB comparison tests
garrettwrong May 7, 2024
73e3614
Allow sync3n methods to run in singles via upcasting
garrettwrong May 7, 2024
0a91eec
Update some docstrings
garrettwrong Jul 3, 2024
51ffdac
initial add cl sync3n test
garrettwrong Jul 3, 2024
4c5102c
add minimal test
garrettwrong Jul 3, 2024
d0c2c0d
actually test the different dtypes
garrettwrong Jul 3, 2024
52a099e
mark float64 and odd sync3n as expensive
garrettwrong Jul 3, 2024
1124033
first pass addressing review remarks
garrettwrong Jul 19, 2024
61c6a89
move initial rotation estimate lines into estimate_rotations
garrettwrong Jul 19, 2024
d8b03bf
important progress bar
garrettwrong Aug 9, 2024
d4bf0bb
Use trust region method for S weight least squares
garrettwrong Aug 13, 2024
e177486
use class mangled names for gpu methods
garrettwrong Aug 19, 2024
8a2cd53
typo
garrettwrong Aug 19, 2024
a89fb8f
Add disable_gpu sync3n flag
garrettwrong Aug 27, 2024
3d8da44
P->W typo
garrettwrong Aug 27, 2024
ff56876
use more specific language instead of resolution
garrettwrong Aug 27, 2024
a7f77b9
Replace histogram logic
garrettwrong Aug 27, 2024
bd34d3d
factor out sync3n score body
garrettwrong Aug 27, 2024
068ec9a
Revert "factor out sync3n score body"
garrettwrong Aug 28, 2024
f094f03
black style
garrettwrong Aug 28, 2024
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1 change: 1 addition & 0 deletions MANIFEST.in
Original file line number Diff line number Diff line change
Expand Up @@ -17,6 +17,7 @@ recursive-include docs *.rst
recursive-include docs Makefile
recursive-include docs *.sh
recursive-include src *.conf
recursive-include src *.cu
recursive-include src *.yaml
prune docs/build
prune docs/source
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1 change: 1 addition & 0 deletions src/aspire/abinitio/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,7 @@

# isort: off
from .commonline_sync import CLSyncVoting
from .commonline_sync3n import CLSync3N
from .commonline_c3_c4 import CLSymmetryC3C4
from .commonline_cn import CLSymmetryCn
from .commonline_c2 import CLSymmetryC2
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