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Analyzed about 9 hours ago. based on code collected about 9 hours ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Sep 14, 2024 — Sep 14, 2025 Showing page 1 of 14 Search / Filter on:
Add ExcitationOperator*DeexcitationOperator.	Devin Matthews	More...				almost 8 years ago
Merge remote-tracking branch 'origin/master'	Devin Matthews	More...				over 8 years ago
Actually complete EOMEE-CCSDT densities.	Devin Matthews	More...				over 8 years ago
EOMEE-CCSDT density complete.	Devin Matthews	More...				over 8 years ago
Added EOMEE-CCSD (working) and -CCSDT densities (not working).	Devin Matthews	More...				over 8 years ago
Working on EOMEE-CCSD density.	Devin Matthews	More...				over 8 years ago
Allow useful casting of (De)ExcitationOperator to lower rank.	Devin Matthews	More...				over 8 years ago
Merge branch 'symmetry-fix'	Devin Matthews	More...				over 8 years ago
Symmetry now resticted to D2h and tests updated.	Devin Matthews	More...				over 8 years ago
All point groups pass tests, now to restrict to D2h for computation.	Devin Matthews	More...				over 8 years ago
Working on tests for all point groups.	Devin Matthews	More...				over 8 years ago
Remove conflicting overload for Datatype::structure.	Devin Matthews	More...				over 8 years ago
Remove conflicting overload for Datatype::structure.	Devin Matthews	More...				over 8 years ago
Adding full symmetry and checking.	Devin Matthews	More...				over 8 years ago
add ccsd(t) to H2O cc-pVDZ test set	Jeff Hammond	More...				almost 9 years ago
Do autoreconf for recent m4 changes.	Devin Matthews	More...				almost 9 years ago
Merge pull request #16 from jeffhammond/libmpi-m4-fix	Devin Matthews	More...				almost 9 years ago
add latest Fortran MPI library name	Jeff Hammond	More...				almost 9 years ago
Fix CFOUR-based gradients.	Devin Matthews	More...				about 9 years ago
Add AX_PROG_F77_MPI macro so that `ftn' is found on Cray instead of gfortran. Fixes #14 (in theory).	Devin Matthews	More...				about 9 years ago
Keep marray, lawrap, mpiwrap, and stl_ext in-tree.	Devin Matthews	More...				about 9 years ago
CFOUR gradients working now.	Devin Matthews	More...				over 9 years ago
Use spin-adapted inner product for singlet roots.	Devin Matthews	More...				over 9 years ago
CFOUR gradients closer to working.	Devin Matthews	More...				over 9 years ago
Don't compile cfourgrad.cxx.	Devin Matthews	More...				over 9 years ago
Fix include path for MArray.	Devin Matthews	More...				over 9 years ago
Working on CFOUR gradient integration.	Devin Matthews	More...				over 9 years ago
Update for new marray and start working on CFOUR gradient support.	Devin Matthews	More...				over 9 years ago
Added fake MO integral task for benchmarking.	Devin Matthews	More...				over 9 years ago
Added Upsilon and Pi equations for CCSD(T)_L gradients.	Devin Matthews	More...				over 9 years ago

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