release notes for pyOZ ====================== released: 12. August 2009 version: 0.3 check the website http://pyoz.vrbka.net - more information - features - documentation - theory changes from the previous release (0.2.3) - improved readability of the main code - bugfixes - output of partial structure factors S(k) - newton-raphson/conjugate gradients algorithm reenabled !!! IMPORTANT !!! the convergence of the NR/CG algorithm is heavily dependent on the quality of the involved operators and their adjoints particularly in the very beginning, when the linear approximation to the problem is not very good, the algorithm frequently fails to converge and switches to the classical picard scheme !!! IMPORTANT !!! revisions/descriptions of individual source files - changed files denoted with star (*) pyoz.py ........................................... 0.1.8* main program pyoz_closure.py ................................... 0.1.1 definition of closures pyoz_const.py ..................................... 0.1.6 definition of constants pyoz_dft.py ....................................... 0.1.4 definition of fourier transforms pyoz_input.py ..................................... 0.1.9* handling of input pyoz_misc.py ...................................... 0.1.3 miscellanous routines pyoz_plot.py ...................................... 0.1.1 graphics-related routines pyoz_potential.py ................................. 0.1.4 definition and handling of pair potentials pyoz_property.py .................................. 0.1.5 evaluation of thermodynamic properties pyoz_solver.py .................................... 0.1.2 optimized solvers for special cases