Commit 77c3807c by Francois Gygi

wrk update

git-svn-id: http://qboxcode.org/svn/qb/trunk@1202 cba15fb0-1239-40c8-b417-11db7ca47a34
parent a34d7aed
TODO:
Sample.h: replace ExtForceSet and ConstraintSet members by pointers.
Check behavior of net_charge during save/load.
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Issues:
BOSampleStepper.C:Using run 0 modifies the wavefunctions. Need to set
wf_dyn=LOCKED to only compute energy without modif of wfs.
kpgen for non-rectangular cells yields non-symmetric kpoint sets.
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wrk
Redesign of Bisection and ExchangeOperator separates bisection transformation
and load-balancing permutation.
Fixed KPGridConnectivity
Added unit_cell info in BOSampleStepper output.
SlatedDet: added occ_ and eig_ to operator=
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rel1_55_5
Added polar decomposition in Matrix class.
Use polar in ortho_align, align, lowdin ortho.
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rel1_55_4
Added OpenMP pragmas
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rel1_55_0
merge of hfb functionality
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rel1_54_6
Added USE_DFFTW macro for platforms providing the dfftw.h header only
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