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neutrons / multiphonon

multiphonon (getDOS)
MIT License
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Need to make helper function for data file types #21

Open jniedziela opened 8 years ago

jniedziela commented 8 years ago

Need to provide methods for users to provide .nxs or .nxspe files for input, and move away from histogram dependence.

yxqd commented 8 years ago

@jniedziela @DougAbernathy I am thinking of making some data format conversion tools in the spida package (sns-chops/spida). I think multiphonon can be a small, self-contained package that only do one thing well: multi-phonon calculations. Spida, as its name "Software for Powder Inelastic Data Analysis" suggests, is the overarching software package that makes use of whatever software available to make powder data analysis easier for SNS users, including Mantid, multiphonon, and maybe phonopy and mcvine, and it should contain data conversion tools that can make these packages work harmoniously together. If both of you don't mind, I will be implementing that in spida, and create some test case so that @jniedziela can start coding the Mantid algorithm for multiphonon corrections.