Comments (2)
It would also be nice to have some "bragg calculation" help from ncrystal_inspectfile, e.g. to align monochromators.
ncrystal_inspectfile --bragginfo Ge_sg227.ncmat 5,1,1 [1.0Aa|45deg]
=>Get info about the 5,1,1 line (d-spacing, mfp for reflection at given wavelength or angle, reflection angle related to given wavelength or vice-versa)
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NCrystal v2.2.0 includes the --browse
option for this (the bragg calculation option will be for another day).
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Related Issues (20)
- Must unit test ncrystal_endf2ncmat HOT 3
- Make inelastic sampling framework more flexible HOT 1
- Improve lowE inelastic sampling
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- Slim down __init__.py HOT 1
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- Support s(q,w) format and not just s(alpha,beta) HOT 10
- ncrystal 3.5.1 installation problem on MacOS (M1) HOT 3
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- Constants in the new release HOT 6
- conda builds fail due to obsolete oninedb2ncmat HOT 1
- NCrystal binary lib should not use std::cout directly when used from python HOT 2
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- Labels and elements in NCMATComposer objects from CIF HOT 1
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