Closed brainandforce closed 1 year ago
Patch coverage: 59.25
% and project coverage change: +2.27
:tada:
Comparison is base (
6515172
) 45.47% compared to head (b002c6d
) 47.74%.
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Now we have
writePOSCAR()
which writes data to a POSCAR file (by default to a file namedPOSCAR
) and its corresponding functionwriteCONTCAR()
which defaults toCONTCAR
as the filename.writePOSCAR4()
has been reimplemented for compatibility, but may be deprecated in a future release and has been exported with the@deprecate
macro.