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aquarius-chem

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Analyzed about 18 hours ago. based on code collected about 18 hours ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Sep 09, 2024 — Sep 09, 2025 Showing page 11 of 14 Search / Filter on:
Remove github cruft	Devin Matthews	More...				about 12 years ago
Merge branch 'master' of https://github.com/devinamatthews/aquarius	Devin Matthews	More...				about 12 years ago
Initial commit	devinamatthews	More...				about 12 years ago
Ih works. Moved integrals to new Task system.	Devin Matthews	More...				about 12 years ago
Added names to tensors and activated profiling for contractions of tensors with names. Also fixed new profiling call in ao-ccsdt.	Edgar Solomonik	More...				about 12 years ago
Cholesky fixed.	Devin Matthews	More...				about 12 years ago
Major overhaul of symmetry and integral code. Cholesky is temporarily borked.	Devin Matthews	More...				about 12 years ago
A lot of refactoring and polishing	Devin Matthews	More...				about 12 years ago
Merge branch 'master' of https://code.google.com/p/aquarius-chem	solomon	More...				about 12 years ago
Added CTF profiling calls to CCSD/CCSDT benchmark	solomon	More...				about 12 years ago
Fixed issue where size_t was communicated as MPI_INT.	Devin Matthews	More...				about 12 years ago
Don't cast size_t to long for allsum anymore	Devin Matthews	More...				about 12 years ago
Removed vestigial boost #include	Devin Matthews	More...				about 12 years ago
Much faster AO-MO transformation	Devin Matthews	More...				about 12 years ago
AO SCF is faster, AOMO is also faster, but still slow	Devin Matthews	More...				about 12 years ago
Merge branch 'new_build'	Devin Matthews	More...				about 12 years ago
Merge branch 'new_build' of https://code.google.com/p/aquarius-chem into new_build	Devin Matthews	More...				about 12 years ago
Better detection of gcc	Devin Matthews	More...				about 12 years ago
Compiles with gcc/intel on Carver	Devin Matthews	More...				about 12 years ago
configure works with gnu/intel on Hopper	Devin Matthews	More...				about 12 years ago
Merge branch 'new_build' of https://code.google.com/p/aquarius-chem into new_build	Devin Matthews	More...				about 12 years ago
Enhancements to configure to handle NERSC systems better	Devin Matthews	More...				about 12 years ago
Merge branch 'new_build' of https://code.google.com/p/aquarius-chem into new_build	solomon	More...				about 12 years ago
made nrs from int -> size_t, fixed BG/Q bug on w15	solomon	More...				about 12 years ago
Merge branch 'new_build' of https://code.google.com/p/aquarius-chem into new_build	Devin Matthews	More...				about 12 years ago
Test script finished	Devin Matthews	More...				about 12 years ago
Made configure an executable	solomon	More...				about 12 years ago
Fixed minor issues compiling with g++ Added test script (incomplete)	Devin Matthews	More...				about 12 years ago
- Moved cc and scf code into .cxx files with explicit specializations	Devin Matthews	More...				about 12 years ago
Fixed integer overflow issue in AOMOIntegrals::abrs_integrals::transcribe	devinamatthews	More...				about 12 years ago

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