trim surface slab fails when initial poscar has selective dynamics line

rjacobs914 / VASP-Tools

A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP package

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Closed rjacobs914 closed 6 years ago

rjacobs914 commented 7 years ago

Need to add selective dynamics line in trim poscar slab method

rjacobs914 commented 6 years ago

Fixed in new version. Issue was invalid atom counting for multiple species when trimming slab