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aquarius-chem

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Analyzed 1 day ago. based on code collected 1 day ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Aug 19, 2024 — Aug 19, 2025 Showing page 3 of 14 Search / Filter on:
Missed files somehow?	Devin Matthews	More...				about 10 years ago
Add CC densities and update compiler search to only known programs.	Devin Matthews	More...				about 10 years ago
Added CCSDT(Q) and CCSDT(Q)_L	Devin Matthews	More...				about 10 years ago
Merge branch 'master' of github.com:devinamatthews/aquarius	Devin Matthews	More...				about 10 years ago
Lambda-CCSDTQ working and added CCSD(T) and CCSD(T)_L.	Devin Matthews	More...				about 10 years ago
EOMEE debugged. Matches CFOUR to six decimal places.	“[email protected]”	More...				about 10 years ago
Fix normalization of EOMEE vectors for continous compaction.	Devin Matthews	More...				about 10 years ago
Possible fix for repeated EOM roots.	Devin Matthews	More...				about 10 years ago
Merge branch 'master' of github.com:devinamatthews/aquarius	Devin Matthews	More...				about 10 years ago
Added jellium UEG model.	Devin Matthews	More...				about 10 years ago
More print statements for debugging spin flips. Elegant printing requred passing around an arena that wasn't present before	“[email protected]”	More...				about 10 years ago
Added CCSDT-GF (IP) and allow Davidson to follow complex roots.	Devin Matthews	More...				about 10 years ago
Print statements added to debug spin switching	“[email protected]”	More...				about 10 years ago
Added CCSD-GF (only IP part for now) and fixed dumb mistake in Davidson.	Devin Matthews	More...				about 10 years ago
Save triplet flag for root until converged.	Devin Matthews	More...				about 10 years ago
Fix spin-adaptation in EOMEECCSD.	Devin Matthews	More...				about 10 years ago
Add -lkiss_fft to default Elemental libs.	Devin Matthews	More...				about 10 years ago
Initialize download[ed] variable in aq_with_package.m4.	Devin Matthews	More...				about 10 years ago
Fix problem with --with-XXX-libs.	Devin Matthews	More...				about 10 years ago
Fix empty ctf_LIBS when automatically downloaded.	Devin Matthews	More...				about 10 years ago
Update configure to match new_tensor branch, add spin-adaptation to EOMEECCSD	Devin Matthews	More...				about 10 years ago
Merge pull request #4 from jeffhammond/jeff-omp-fusion	devinamatthews	More...				about 10 years ago
fuse three OpenMP parallel regions into one	Jeff Hammond	More...				about 10 years ago
Trying to get submodules to work right	Devin Matthews	More...				about 10 years ago
Merge branch 'master' of https://github.com/devinamatthews/aquarius	Devin Matthews	More...				about 10 years ago
Davidson finally working well for multiple roots	Devin Matthews	More...				about 10 years ago
Merge branch 'master' of https://github.com/devinamatthews/aquarius	Edgar Solomonik	More...				about 10 years ago
aoscf -> localaoscf in water cluster input generation	Edgar Solomonik	More...				about 10 years ago
Minor changes	Devin Matthews	More...				about 10 years ago
Another change to marray	Devin Matthews	More...				about 10 years ago

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