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minor
ExaChem_Linter #73: Commit dbb48b3 pushed by ajaypanyala
April 22, 2024 16:35 30s test
April 22, 2024 16:35 30s
fix ducc
ExaChem_Linter #72: Commit 6b7a666 pushed by ajaypanyala
April 22, 2024 16:34 30s test
April 22, 2024 16:34 30s
test
ExaChem_Linter #71: Commit 3b54903 pushed by ajaypanyala
April 22, 2024 16:15 26s test
April 22, 2024 16:15 26s
Split 4c J and K, add Direct RI-J
ExaChem_Linter #70: Commit caa5ed7 pushed by ajaypanyala
April 18, 2024 00:10 30s main
April 18, 2024 00:10 30s
fix warnings,typos
ExaChem_Linter #69: Commit 3686efb pushed by ajaypanyala
April 18, 2024 00:09 30s test
April 18, 2024 00:09 30s
Split 4c J and K, add Direct RI-J
ExaChem_Linter #68: Commit ac58016 pushed by ajaypanyala
April 17, 2024 23:19 27s test
April 17, 2024 23:19 27s
update cuda checks for
ExaChem_Linter #67: Commit dd2e7ee pushed by ajaypanyala
April 17, 2024 17:00 26s main
April 17, 2024 17:00 26s
refactor input parser, scf.
ExaChem_Linter #66: Commit c2c34b9 pushed by ajaypanyala
April 14, 2024 21:51 25s main
April 14, 2024 21:51 25s
refactor
ExaChem_Linter #65: Commit e7faa91 pushed by ajaypanyala
April 14, 2024 21:39 27s test_rf
April 14, 2024 21:39 27s
refactor.
ExaChem_Linter #64: Commit 6e7c151 pushed by ajaypanyala
April 14, 2024 21:21 25s test_rf
April 14, 2024 21:21 25s
refactor.
ExaChem_Linter #63: Commit c70995c pushed by ajaypanyala
April 14, 2024 21:00 23s test_rf
April 14, 2024 21:00 23s
[SCF] minor cleanup, enable gauxc device execution
ExaChem_Linter #62: Commit f33d199 pushed by ajaypanyala
March 28, 2024 20:22 30s main
March 28, 2024 20:22 30s
[CC-UHF] minor bug fix when accessing the beta parts of MO space
ExaChem_Linter #61: Commit 8e83bf1 pushed by ajaypanyala
February 14, 2024 07:05 25s main
February 14, 2024 07:05 25s
[CC-UHF] minor bug fix when accessing the beta parts of MO space
ExaChem_Linter #60: Commit 312ce3d pushed by ajaypanyala
February 13, 2024 14:05 23s main
February 13, 2024 14:05 23s
[CC-UHF] minor bug fix when accessing the beta parts of MO space
ExaChem_Linter #59: Commit a46961c pushed by ajaypanyala
February 13, 2024 13:26 24s main
February 13, 2024 13:26 24s
[SCF]
ExaChem_Linter #58: Commit 879b03c pushed by ajaypanyala
February 9, 2024 14:03 25s main
February 9, 2024 14:03 25s
[SCF] cleanup restart logic
ExaChem_Linter #57: Commit 4d45b71 pushed by ajaypanyala
January 12, 2024 03:26 21s main
January 12, 2024 03:26 21s
fix default units
ExaChem_Linter #56: Commit b34a520 pushed by ajaypanyala
January 8, 2024 21:39 27s main
January 8, 2024 21:39 27s
fix default units
ExaChem_Linter #55: Commit a77968e pushed by ajaypanyala
January 8, 2024 21:38 29s main
January 8, 2024 21:38 29s
input parser refactor
ExaChem_Linter #54: Commit e4c7c57 pushed by ajaypanyala
January 6, 2024 16:51 32s main
January 6, 2024 16:51 32s
update jobscripts, add git tracker
ExaChem_Linter #53: Commit a6fe94e pushed by ajaypanyala
January 6, 2024 07:04 27s main
January 6, 2024 07:04 27s
[SCF] adjust lshift based on homo-lumo gap, [CI] update reference out…
ExaChem_Linter #52: Commit 7751ec0 pushed by ajaypanyala
December 20, 2023 04:15 29s main
December 20, 2023 04:15 29s
[SCF] adjust lshift based on homo-lumo gap, [CI] update reference out…
ExaChem_Linter #51: Commit bda098b pushed by ajaypanyala
December 20, 2023 04:08 26s main
December 20, 2023 04:08 26s
[SCF] adjust lshift based on homo-lumo gap, [CI] update reference out…
ExaChem_Linter #50: Commit 329af11 pushed by ajaypanyala
December 20, 2023 02:59 22s main
December 20, 2023 02:59 22s
(T): cleanup to incorporate TAMM RMM changes
ExaChem_Linter #49: Commit eb20798 pushed by ajaypanyala
December 18, 2023 00:50 26s main
December 18, 2023 00:50 26s