Ticket #11238 (new)
Interface to CASTEP
Reported by: | Nick Draper | Owned by: | |
---|---|---|---|
Priority: | critical | Milestone: | Release 3.6 |
Component: | Direct Inelastic | Keywords: | SSC, 2015, All, model |
Cc: | Blocked By: | ||
Blocking: | Tester: |
Description
May be some crossover with #11237
This was basically described as a wrapper for running CASTEP, an algorithm (possibly with custom interface) that took in parameters to create a CASTEP input file, ran castep and ingested the results.
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