- Feb 12, 2007
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Andreas Klöckner authored
Add cleanup script.
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- Feb 06, 2007
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Andreas Klöckner authored
Long-needed code cleanup. Better starting guess.
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- Oct 24, 2006
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Andreas Klöckner authored
Add bzrignore.
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Andreas Klöckner authored
Calculate S^{-1/2} via functional calculus, not via Cholesky.
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- Jul 08, 2006
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Andreas Tester authored
Adapt for PyLinear op->comp/op split.
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Andreas Tester authored
tag of inform@tiker.net--iam-2005/pywannier--iam--1.0--patch-16
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- Jul 25, 2005
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Andreas Klöckner authored
Iterate longer, different bands-> no difference.
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Andreas Tester authored
Updated to CG and tr[A*A^H]
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- Jul 22, 2005
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Andreas Klöckner authored
Fixed-step *does* do some good
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- Jul 21, 2005
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Andreas Tester authored
Integrated Marzari's gradient. Not what I had hoped for. Sign seems wrong, too. Works otherwise.
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Andreas Klöckner authored
Begun implementation of Marzari strategy.
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- Jul 14, 2005
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Andreas Klöckner authored
wake of fempy changes
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- Jul 05, 2005
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Andreas Klöckner authored
More revamp, fix visualization of Bloch functions.
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Andreas Klöckner authored
Fixes to verify_* scripts.
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Andreas Klöckner authored
Merge Fempy adaptation.
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- Jun 30, 2005
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Andreas Klöckner authored
Various fixes before conversion to FEM k-space Fixed compute_analytic_eigenmodes
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- May 19, 2005
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Andreas Klöckner authored
Small improvements. Removed arg() cruft. Added initial Berghold mess. Better initial guesses.
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- May 03, 2005
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Andreas Klöckner authored
Berghold etc. Sped up periodicization. Began Berghold minimizer.
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- Apr 28, 2005
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Andreas Klöckner authored
Boatloads of adaptations
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- Apr 22, 2005
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Andreas Klöckner authored
camel case conversion fixes
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- Apr 20, 2005
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Andreas Klöckner authored
Initial fixes due to PyLinear revamp
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- Mar 23, 2005
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Andreas Klöckner authored
Update to match PyLinear changes
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- Mar 21, 2005
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Andreas Klöckner authored
tag of ak@ixion.net--2003-diplomarbeit/pywannier--prototype--1.0--patch-50
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- Oct 15, 2004
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Andreas Kloeckner authored
final version
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- Oct 03, 2004
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Andreas Kloeckner authored
added verify_convergence.py
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- Oct 02, 2004
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Andreas Kloeckner authored
better (but not good) implementation of boundary interpolation
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- Oct 01, 2004
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Andreas Kloeckner authored
more visualization
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- Sep 29, 2004
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Andreas Kloeckner authored
visualizing 1D band diagrams works, except for a spurious factor of 0.5.
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Andreas Kloeckner authored
band diagram work
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- Sep 25, 2004
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Andreas Kloeckner authored
phase unification (no results)
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- Sep 14, 2004
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Andreas Kloeckner authored
fixed brown paper bag bug
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- Sep 11, 2004
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Andreas Kloeckner authored
draw exact meshes to gnuplot
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- Sep 09, 2004
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Andreas Kloeckner authored
fixed a cg bug, code cleanups
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- Sep 07, 2004
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Andreas Kloeckner authored
implemented polak-ribi`ere involved making k-dependent matrices an actual vector-space-like datatype (i.e. +,-,*) this functionality is abstracted out into a tDictionaryOfArithmeticTypes in fempy.tools. implemented separate view in band stack visualization implemented interactive stopping
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- Sep 03, 2004
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Andreas Kloeckner authored
does it really work? implemented scalar product fixes as suggested by new ideas
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- Sep 02, 2004
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Andreas Kloeckner authored
pre-doerfler on sep 2 u development over bz plot script fix to scalar product
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- Sep 01, 2004
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Andreas Kloeckner authored
work at Josie's place periodicity fixes, again derivative debug facilities more work on analytic modes
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- Aug 27, 2004
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Andreas Kloeckner authored
modularized eigenmode test, analytic eigenmodes
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- Aug 25, 2004
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Andreas Kloeckner authored
added interactivity levels
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Andreas Kloeckner authored
the "golden version" for doerfler
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