Commit 4959ba28 by Francois Gygi

rel1_60_7


git-svn-id: http://qboxcode.org/svn/qb/trunk@1646 cba15fb0-1239-40c8-b417-11db7ca47a34
parent d02cff10
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rel1_60_5
Planned merging of oncv branch into trunk. Modifications.
Species.h: Must check use of namespace to define proj_data object.
Species.h: ztot_ zcore_ are double. Related to the definition given
in the species that may not be an integer charge?
Species.C: use of "or" keyword in test is a C++-11 feature. Revert to || for
consistency with the rest of the code.
EnergyFunctional.h: ChargeDensity cd_ not const. Due to core charge update?
ChargeDensity.C::update_rhor: use of transform algorithm. Add and subtract
core charge can be replaced by use of temporary array, simpler loop.
sample.xsd: remove definition of doubleListType which appears in species.xsd
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rel1_60_7
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r1645: Bisection.C: modified pair_fraction to reduce calls to overlap.
r1644: optimization of Bisection::overlap speeds up exchange on large problems
r1644: added detailed timers to ExchangeOperator.C
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rel1_60_6
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r1605: added -vlocal option to the plot command. Plot Vloc+VHart+Vxc.
r1570: cleanup testXMLGFPreprocessor.C
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