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jonathanunderwood edited this page Mar 5, 2013 · 2 revisions

LIMAPACK is a software package for calculating the molecular axis alignment resulting from exposing molecules to intense non-resonant laser fields. LIMAPACK is an evolution of code written over several years by Jonathan Underwood. The present focus is on making the code available in a modular form such that it becomes a platform for collaborative development by interested parties. As such this involves a large cleanup and re-factoring effort. Once this phase is complete, new features will be added.

Current features include:

  • Can optionally use MPI for running on large clusters
  • Uses pthreads for multi-threading on a single machine with multiple CPU cores
  • Able to treat linear, symmetric top, and asymmetric top molecules
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