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royallgroup / TCC

The Topological Cluster Classification algorithm
https://royallgroup.github.io/TCC/
GNU General Public License v3.0
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Create a generic XYZ output function #14

Closed merrygoat closed 6 years ago

merrygoat commented 6 years ago

Combine the functions which output 11A centers and 13A centers into a generic function which can output any cluster type. This should be relatively easy given that all raw coordinates are stored in the s_clust name global arrays.

merrygoat commented 6 years ago

Commit 10a371c8e46949e9bea704102c648987f9c40cbd changed the structure of the raw coordinate files so that centers are designed 'S'. As before, non cluster particles are 'C', cluster particles are 'B' and spindles are 'O'. 'S' particles may also be 'O' particles but dont have to be, 'O' particles may also be 'B' particles but dont have to be.

It should be easy enough to create a generic centers xyz output function now.

merrygoat commented 6 years ago

Started in 53001710c27da19a8986db97d0bff0693bca941b. Completed by ae3fb78720cda9b20b43e7f907d2031a8070fb2d.