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    • Manuel Dias's avatar
      Bug fix: handling atom-dependent fixed angles in KKRhost · a4e54955
      Manuel Dias authored
      Changes involving read_angles:
      -- wunfiles: sets theta, phi and fixdir in t_params, new override with fix_nonco_angles, broadcasts values
      -- main1a, main1b, main1c, writekkrflex: replaced call to read_angles with assignment from t_params
      
      Changes involving fix_nonco_angles:
      -- wunfiles: used to override fixdir
      -- rhovalnew: now uses fixdir to decide if the local frame has to be corrected, new angles always computed
      -- main1c: decides on nonco_angle_out.dat, now always write information on new angles
      a4e54955
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