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Contents
Packaging
``getg''
Debugging
``ludcmpp480'' and ``lubksbp480''
Debugging
Initial Performance
Convergence Rate
Run time
Broyden Solver
Bookkeeping
Debugging
Improved initial guess
``broyden''
Matrix G and vector u
Declarations:
Residual vector
:
Formation:
Solution of
G
b = u
Formation of final Rho[it+1]
Convergence rate
Optimization
Calls to dvector() and free_dvector()
Calls to rk4p480()
Calls to derivs_Schrodinger()
Calls to exc() and excp()
Uranium
``test_getg.c''
``test_lu.c''
About this document ...
Tomas Arias
Fri Mar 17 13:11:50 EST 2000