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Refactoring and Cleanup of Interface #84

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merged 43 commits into from
Jun 19, 2024
Merged

Refactoring and Cleanup of Interface #84

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c8e9708
first withalloc example
Jun 3, 2024
e85fcac
moved withalloc to generic interface
Jun 3, 2024
902120e
extenging withalloc to sparseprodpool
Jun 3, 2024
e437f9d
fixing CI
Jun 3, 2024
4a52cdd
fixing testss
Jun 3, 2024
cfa8d20
update sparseprodpool
Jun 3, 2024
e200674
update SparseSymmProd tests
Jun 4, 2024
e33fc5e
pulling the plug on ObjectPools (first steps)
Jun 6, 2024
f44580a
2d harmonics update
Jun 6, 2024
5fdba55
more cleanup
Jun 6, 2024
7979e0c
more cleanup
Jun 7, 2024
8402c30
first update to atomic orbitals
Jun 7, 2024
e7b5eff
remove some allocations from atorbrad
Jun 7, 2024
c50bea2
most of sparse product
Jun 7, 2024
8b01762
drafting new SC interface
Jun 7, 2024
c75d520
complete 3d harmonics via sphericart
Jun 7, 2024
c809d23
require Sphericart 0.1.1
Jun 7, 2024
244f282
docs update
Jun 7, 2024
3c53e6c
streamline deriv tests a bit
Jun 8, 2024
14bdae8
cleanup
Jun 8, 2024
8908f5a
simplifying more tests
Jun 8, 2024
130e8fb
cleanup
Jun 8, 2024
3abdd19
draft forward trick pb2 for sparseprodpool
Jun 9, 2024
dcdd4bb
non-allocating pb2 with FD
Jun 9, 2024
3a0cd8d
pb^2 tests
Jun 10, 2024
9b8394f
renaming of pullback and pushforward
Jun 10, 2024
a923b72
kill original Ylms
Jun 10, 2024
d0da173
streamlining tests for embeddings
Jun 12, 2024
f919f42
a lot of cleanup
Jun 12, 2024
1e2b378
fix pb and pb2 for sparsepoolprod
Jun 12, 2024
00f9be5
AD pushforward for sparseprodpool + simplified test
Jun 12, 2024
7f382d4
pb2 and pfwd for sparsesymmprod
Jun 12, 2024
0a64e18
a bit more cleanup
Jun 12, 2024
7d9f677
fix docs build
Jun 12, 2024
3c65a77
reviving linear layer and tests - to be cleaned up soon
CheukHinHoJerry Jun 15, 2024
a276da5
fix tests
CheukHinHoJerry Jun 15, 2024
1a91bc4
fix lux connection
CheukHinHoJerry Jun 15, 2024
360fb3c
clean up interface for linear layer and sparseproduct
CheukHinHoJerry Jun 16, 2024
916e62e
clean up sparseproduct interface
CheukHinHoJerry Jun 18, 2024
2cf467d
fix tests
CheukHinHoJerry Jun 19, 2024
a26a637
minor comment for clarificatin
Jun 19, 2024
bbf1db1
docs cleanup
Jun 19, 2024
9f47846
small readme update
Jun 19, 2024
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2 changes: 1 addition & 1 deletion .github/workflows/CI.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -18,8 +18,8 @@ jobs:
fail-fast: false
matrix:
version:
- '1.8'
- '1.9'
- '1.10'
- 'nightly'
os:
- ubuntu-latest
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363 changes: 0 additions & 363 deletions BAK/sparseproduct_code/sparseproduct.jl
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