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CompositeJK Part 3: SplitJK #2955

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merged 31 commits into from Oct 2, 2023
Merged

CompositeJK Part 3: SplitJK #2955

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d467e77
Start on SplitJK framework
davpoolechem Jan 11, 2023
17a44c1
Start implementing DIrectDFJ using SplitJK
davpoolechem Jan 11, 2023
d517dd3
Further updates to DIrectDFJ.cc?
davpoolechem May 8, 2023
8a16f8f
Clean up headers in cc files
davpoolechem Jan 12, 2023
08a36c6
Add SplitJK.cc
davpoolechem Jan 12, 2023
e78edc0
Start implementing LinK via SplitJK formalism
davpoolechem Jan 12, 2023
8fe3ed1
Remove explicit LinK stuff from CompositeJK
davpoolechem Jan 12, 2023
3426159
Code compiles after LinK SplitJK impl
davpoolechem Jan 12, 2023
fdc142b
More general LinK SplitJK impl improvements
davpoolechem Jan 12, 2023
1f5cbf6
Start COSX SplitJK impl
davpoolechem Jan 12, 2023
18001dd
More work on COSX SplitJK impl
davpoolechem Jul 20, 2023
0cc4ff7
Fix options processing in COSX
davpoolechem Jan 13, 2023
44b48c7
Fix issue that popped up with scf5
davpoolechem Jan 13, 2023
7313019
Some updates after rebase
davpoolechem Mar 3, 2023
05783d4
Add some comments removed during rebase
davpoolechem Mar 3, 2023
bd155f9
Fix up compilation issues after rebase
davpoolechem May 8, 2023
e3391cc
Get rid of some other issues introduced by rebase
davpoolechem May 8, 2023
0593120
Retab new files, should be easier to read
davpoolechem May 8, 2023
4d377f4
Some comment improvements
davpoolechem May 9, 2023
0d8bac0
More cleanup and header changes to SplitJK
davpoolechem May 9, 2023
05116d6
Even more straightening out of things
davpoolechem May 9, 2023
14d73ba
Whitespace cleanup of COSK
davpoolechem May 10, 2023
8a9ad89
Whitespace cleanup of CompositeJK.cc
davpoolechem May 10, 2023
8e27474
FIx whitespace in DirectDFJ
davpoolechem May 15, 2023
83589ea
Clean whitespace in LinK.cc
davpoolechem May 15, 2023
0f4b6c9
Clean whitespace in SplitJK.* files
davpoolechem May 15, 2023
e4e03b5
Fix previously-changed linK-1 sample
davpoolechem May 15, 2023
fc6d728
Final touches, I think
davpoolechem May 25, 2023
ab42d24
Add print_ conditional to LinK::print_header()
davpoolechem May 25, 2023
fe01add
Add correction from rebase
davpoolechem Jun 26, 2023
c6b1840
Post-rebase fixups
davpoolechem Jul 20, 2023
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4 changes: 4 additions & 0 deletions psi4/src/psi4/libfock/CMakeLists.txt
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@@ -1,14 +1,18 @@
list(APPEND sources
CDJK.cc
CompositeJK.cc
COSK.cc
DirectDFJ.cc
DirectJK.cc
DiskDFJK.cc
DiskJK.cc
GTFockJK.cc
LinK.cc
MemDFJK.cc
PKJK.cc
PK_workers.cc
PKmanagers.cc
SplitJK.cc
apps.cc
cubature.cc
hamiltonian.cc
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