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Analyzed 2 days ago. based on code collected 2 days ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Aug 21, 2024 — Aug 21, 2025 Showing page 165 of 169 Search / Filter on:
New interpolation scheme.	matcha as mchalla	More...				over 24 years ago
New routine for XC part of SCF force	matcha as mchalla	More...				over 24 years ago
New directory containing code for quasi-newton minimization	matcha as mchalla	More...				over 24 years ago
Added info for QuNew	matcha as mchalla	More...				over 24 years ago
New binary gamma table format for NONX	schwegle	More...				over 24 years ago
Small changes for NONX	schwegle	More...				over 24 years ago
New version of ONX that appears to work. Uses much less memory than previous versions and is in most cases able to reallocate memory on the fly. This version does not have multipoles or all of the explicit integral code yet. The only known problem is that the 2-e scratch spaces W1 and W2 can potentially go out of bounds. Some simple logic statements will be added to fix this in the next version. As it is now, this code is a little bit slower than PONX. Once the explicit integral code is moved over this version should be the fastest ONX version.	schwegle	More...				over 24 years ago
Everything seems to be in place and more less working. Time to compare the integrals and K matrices with PONX.	schwegle	More...				over 24 years ago
Fixed some pointer bugs in DisOrder. ComputeK is all set up now to find the skipout points and compute integrals...	schwegle	More...				over 24 years ago
2/5/01 added work by MS	salazarm	More...				over 24 years ago
2/5/01 Changed Makefile for gradients	salazarm	More...				over 24 years ago
2/5/01 Added dHGLen=(HGEll+2)(HGEll+3)(HGEll+4)/6	salazarm	More...				over 24 years ago
2/5/01 Added gradient routines	salazarm	More...				over 24 years ago
2/5/01 Linear scaling gradient of HiCu	salazarm	More...				over 24 years ago
2/5/01 Linear scaling gradient of V_nn	salazarm	More...				over 24 years ago
2/5/01 Linear scaling gradient of QCTC	salazarm	More...				over 24 years ago
2/5/01 Working gradient of T_ab	salazarm	More...				over 24 years ago
2/5/01 Working gradient of T	salazarm	More...				over 24 years ago
2/5/01 Working gradient of S_ab	salazarm	More...				over 24 years ago
2/5/01 Linear gradient of S	salazarm	More...				over 24 years ago
Added near exact PAC functions	matcha as mchalla	More...				over 24 years ago
Added MMA protection for gridgen output under full debug.	matcha as mchalla	More...				over 24 years ago
Fixed bug dEdAbsGradRho2->dEdGami	matcha as mchalla	More...				over 24 years ago
Added penetration functions, cleaned makefiel	matcha as mchalla	More...				over 24 years ago
Penetration addmisability functions	matcha as mchalla	More...				over 24 years ago
clean added to makefiles	matcha as mchalla	More...				over 24 years ago
penetration acceptability functions	matcha as mchalla	More...				over 24 years ago
Working on ComputeK, there is a bug in the distribution lists. Somethig goes out of bounds.	schwegle	More...				over 24 years ago
Moved into single GetTable module	schwegle	More...				over 24 years ago
Reordered the gamma function tables to go with the new ONX f90 code.	schwegle	More...				over 24 years ago

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