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Bug fix: handling atom-dependent fixed angles in KKRhost
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
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- source/KKRhost/main1a.F90 4 additions, 2 deletionssource/KKRhost/main1a.F90
- source/KKRhost/main1b.F90 4 additions, 2 deletionssource/KKRhost/main1b.F90
- source/KKRhost/main1c.F90 16 additions, 3 deletionssource/KKRhost/main1c.F90
- source/KKRhost/rhovalnew.F90 14 additions, 10 deletionssource/KKRhost/rhovalnew.F90
- source/KKRhost/writekkrflex.f90 4 additions, 2 deletionssource/KKRhost/writekkrflex.f90
- source/KKRhost/wunfiles.F90 7 additions, 0 deletionssource/KKRhost/wunfiles.F90
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