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jonathanunderwood/limapack
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LIMAPACK - calculating molecular axis alignment in laser fields ================================================================ 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: o Can optionally use MPI for running on large clusters o Uses pthreads for multi-threading on a single machine with multiple CPU cores o Able to treat linear, symmetric top, and asymmetric top molecules o Able to treat arbitrary laser fields Installation ============ Installation instructions can be found in the INSTALL file included with the software. Licensing ========= The software is made available under the terms of the GNU GENERAL PUBLIC LICENSE version 3. Please see the COPYING file for further information. Mailing list ============ Discussions about the use and development of LIMAPACK happen on the LIMAPACK mailing list, hosted on Google Groups: https://groups.google.com/d/forum/limapack To start a discussion on the mailing list send mail to: [email protected] Development =========== The project welcomes all contributions of code and documentation. The development of LIMAPACK is coordinated through github. The project repository can be found here: https://github.com/jonathanunderwood/limapack/
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