• Nick R. Papior's avatar
    Temporary work-around for supercell changes · 93a67ec8
    Nick R. Papior authored
    The TS branch introduced a kill of siesta when the supercell
    was changed during an MD. This may not always be the case if the
    supercell structure is correct, but the connected supercells are
    changing. In that case will it be acceptable to continue. However,
    there may be cases where this is not applicable.
    This will be fully fixed in future cases where the supercell information
    is retained in restart files.
    93a67ec8
restructSpData2D.F90 4.27 KB