Replace CASTEP_MD parser with castep_outputs#1228
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One observation so far is that this implementation of the converter is more strict than the original MDANSE CASTEP converter. The conversion will fail if the header is present, but the empty line after the |
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I have a PR in-place in |
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I installed |
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This is now blocked by oerc0122/castep_outputs#270 |
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Description of work
Replace custom parser with library designed for purpose.
Fixes
N/A
To test
All conversion tests should work as normal.