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Analyzed about 11 hours ago. based on code collected about 15 hours ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Apr 28, 2023 — Apr 28, 2024 Showing page 2 of 5 Search / Filter on:
Updated all of the files to work with either the old Numeric/LinearAlgebra routines or the new numpy/numpy.linalg routines. Test suite is slightly faster, mostly because it now correctly finds the Atlas libraries on Macintosh	rpmuller	More...				about 18 years ago
Minor updates	rpmuller	More...				about 18 years ago
Misc code cleaning	rpmuller	More...				about 18 years ago
Minor updates	rpmuller	More...				about 18 years ago
linalg routines and the women who love them	rpmuller	More...				about 18 years ago
Made changes to get the linalg code working as a lapack replacement.	rpmuller	More...				about 18 years ago
Programs for the qchem generator program, that creates simple C HF programs from PyQuante molecules.	rpmuller	More...				about 18 years ago
Removed OEP.py for maintenance	rpmuller	More...				over 18 years ago
Moved dicer into newstuff while I work on it.	rpmuller	More...				over 18 years ago
Minor interface improvements to Molecule.py Minor documentation improvements	rpmuller	More...				over 18 years ago
Minor improvements to the OEP and rohf routines.	rpmuller	More...				over 18 years ago
Removed the OEP/MP2 stuff because I deemed it not quite ready for prime time	rpmuller	More...				over 18 years ago
Rewrote OEP.exx to use OEP.oep and thus avoid duplicated code.	rpmuller	More...				over 18 years ago
Modifications to do OEP/MP2	rpmuller	More...				over 18 years ago
Renamed EXX.py -> OEP.py, which is a more appropriate name	rpmuller	More...				over 18 years ago
Minor adjustments to OEP and HF codes	rpmuller	More...				over 18 years ago
Updated the setup.py file. Updated the documentation. Minor updates to the dft and hf modules.	rpmuller	More...				over 18 years ago
removed Quest.py	rpmuller	More...				over 18 years ago
PBE now works with a 'readable' correlation functional.	rpmuller	More...				over 18 years ago
More interface upgrades	rpmuller	More...				over 18 years ago
removed return_flag, updated test suite	rpmuller	More...				over 18 years ago
Minor updates to PBE functional.	rpmuller	More...				over 18 years ago
Minor changes to PBE stuff	rpmuller	More...				over 18 years ago
more test functions	rpmuller	More...				over 18 years ago
Updated PBE stuff	rpmuller	More...				over 18 years ago
updated PBE stuff	rpmuller	More...				over 18 years ago
Still getting PBE going	rpmuller	More...				over 18 years ago
Testing the functional derivatives	rpmuller	More...				over 18 years ago
Minor hacks to try to get PBE working.	rpmuller	More...				over 18 years ago
Minor updates to documentation	rpmuller	More...				over 18 years ago

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