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ZhouHUB / pyIID

Monte Carlo Based Diffraction Simulation

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Open CJ-Wright opened 9 years ago

CJ-Wright commented 9 years ago

With the associated paper submitted there are a few things we need to clean up:

[x] Make certain that all tests run to completion
[x] Get better coverage
[x] Implement new ensemble class structure
[x] Allow for NUTS ensemble to set the average momentum (so we can be retroactive with the paper)
[x] update to the Calc1D structure
[ ] Add example code
[ ] Complete documentation
[ ] Write Documentation with sphinx
[x] Separate workflow and structural analysis from pyIID

CJ-Wright commented 9 years ago

After talking to @sghose

CJ-Wright commented 9 years ago

We should cherry pick some of these features from the grand canonical release

CJ-Wright commented 8 years ago

see #33