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Commits : Listings

Analyzed about 18 hours ago. based on code collected about 18 hours ago.
Aug 21, 2024 — Aug 21, 2025
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Modified the ONX data types -Eric
schwegle
More... over 24 years ago
Now loads in the gamma function tables on the fly.
schwegle
More... over 24 years ago
I added a couple of new data types to DerivedTypes and the corresponding memory allocation routines in MemMan. These are specific to ONX and are probably not the final version, I just want to get the current versions checked in for now.
schwegle
More... over 24 years ago
New version of onx. At this point it should compute the swartz ineq. and put the distributions into buffers. All the the distribution buffers are dynamic so that if it runs out of memory it can in almost all cases recover.
schwegle
More... over 24 years ago
Added Zinc to FillBlok.F90
C. J. Tymczak
as tymczak
More... over 24 years ago
Removed all the counting factors(FacAtom, ect) in RhoBlok.F90: Does not work.
C. J. Tymczak
as tymczak
More... over 24 years ago
Took out the Sum over the upper triagle of the Density Matrix in MakeRho.F90. This was calculating an incorrect density in Peridoc Systems. Needs to be Fixed later.
C. J. Tymczak
as tymczak
More... over 24 years ago
Uncommented the PPrint(GM)
C. J. Tymczak
as tymczak
More... over 24 years ago
Added Printing of HGRho in Prettyprint
C. J. Tymczak
as tymczak
More... over 24 years ago
Fixed a Error in the Thresholding in SetCellNumber(GM) neded to \ Sqrt[ AtomPairDistanceThreshold]
C. J. Tymczak
as tymczak
More... over 24 years ago
Dont sort nuclear positions!
matcha
as mchalla
More... over 24 years ago
redid thresholds (again..)
matcha
as mchalla
More... over 24 years ago
MaxEll->HGEll
matcha
as mchalla
More... over 24 years ago
Added back in the primitive type, removing it from Derived types.
matcha
as mchalla
More... over 24 years ago
Added extra phase factor.
matcha
as mchalla
More... over 24 years ago
MaxLen->HGLen
matcha
as mchalla
More... over 24 years ago
Added hardwired limmits for HG and SP sizes
matcha
as mchalla
More... over 24 years ago
Universal temp space U and V for optimized functionals
matcha
as mchalla
More... over 24 years ago
Avoid rm -f *.Inc!
matcha
as mchalla
More... over 24 years ago
N^2 J build. Seems to work for periodics.
matcha
as mchalla
More... over 24 years ago
New QCTC O(N Lg N)
matcha
as mchalla
More... over 24 years ago
trying to get it right this time...
matcha
as mchalla
More... over 24 years ago
directJ support
matcha
as mchalla
More... over 24 years ago
added DirectJ support
matcha
as mchalla
More... over 24 years ago
ToEll in Makefile, improved R function in McMurch, radial vs product exponents in thresholding.
matcha
as mchalla
More... over 24 years ago
Writes file to be included in MMA codes that generate explicit source.
matcha
as mchalla
More... over 24 years ago
Central location for global MMA files. Some may be slightly hacked.
matcha
as mchalla
More... over 24 years ago
New functionals
matcha
as mchalla
More... over 24 years ago
New functionals stuff
matcha
as mchalla
More... over 24 years ago
rm garbage
matcha
as mchalla
More... over 24 years ago