v1thesource / CASTEP

Little programs that help with data manipulation of files in the CASTEP density functional theory code.
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Simplify CASTEP elastic constants method #9

Open v1thesource opened 7 years ago

v1thesource commented 7 years ago

The online tutorial is severely lacking in documentation and ease-of-use, resulting in having to hack your way to the desired result. Much of the 'manual labour' in the method can be automated (even the tutorial outlines the algorithm, just needs to be put into a program)