BlochLib Free, open source and fast NMR toolkit
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simulate simulator simulation nuclear magnetic resonance spin simulation numerical routine

BlochLib Description

Free, open source and fast NMR toolkit BlochLib is an expression template library of generic data structures and algorithms to perform large scale nuclear magnetic resonance classical and quantum mechanical spin simulations. BlochLib has many I/O capabilities and also has integrated numerical routines.NOTE: BlochLib is licensed and distributed under the terms of the Academic Free License (AFL) and GNU General Public License (GPL). What's New in This Release: · updated the Exception handling into a well oiled proper class · included a few 'try catches' around important parts of code...namely the matrix diagonilization routine · updates building and configs to automake (1.7) and autoconf (2.57) · much better error trapping nd state dumping info in Solid (in examples)...of course it required exceptions inside Blochlib to be enabled · the isnan problem on osX has been fixed (i can use !finite) instead, thus all 'hasnan' functions should work everywhere · fixed an infinite template loop problem in the ODE solvers (that means compile times should be shorter AND work on osX) interestingly this problem ONLY happened on osX, not Linux or Cygwin...if it truly was a template code error it should have happened on all i would think. But it may be OS X specific..anyhoo one can finally compile the bloch simulations (which are ridiculously templated for speed) · in the interest of fftw Version 3 having arrived and having an entirely different API...i have updated the fft parts of vector and matrix to use either fftw2 or fftw3 depending on your configuration option.

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