NO radius density contacts loosed touched bound symm check ------------------------------------------------------------------------------------------------------- 5 0.4455105321 0.695057227703 10 0 6 0.4187628569 0.699742410812 12 0 7 0.4127756809 0.758109420731 12 1 0 8 0.3962246284 0.766868096625 14 1 0 9 0.3802242954 0.766215322601 16 1 0 10 0.3682176845 0.772565778837 20 0 11 0.3613413460 0.794015905604 18 2 0 12 0.3534794963 0.806084390414 20 2 0 13 0.3420068809 0.796535449627 18 4 0 14 0.3350326222 0.803439693249 22 3 0 15 0.3288941339 0.810884472461 28 1 0 16 0.3229541853 0.816265195197 26 3 0 17 0.3172458844 0.820069830754 28 3 0 18 0.3110590401 0.818845406873 24 6 0 19 0.3068112608 0.825623556098 32 3 0 20 0.3019477729 0.827163434919 32 4 0 21 0.2974779395 0.829038291967 36 3 0 22 0.2931303791 0.829937734852 38 3 0 23 0.2898435326 0.835398274496 40 3 0 24 0.2855095119 0.833465931658 42 3 0 25 0.2820679070 0.835448308102 46 2 0 26 0.2784635885 0.835298003058 44 4 0 27 0.2752783126 0.836574520840 50 2 0 28 0.2721868082 0.837427372283 52 2 0 29 0.2695697719 0.840297884594 52 3 0 30 0.2664520460 0.839186591313 54 3 0 31 0.2635298256 0.838464437702 58 2 0 32 0.2613449393 0.841694200550 47 ( -1) 8 1 0 33 0.2586636488 0.841034030219 55 ( -1) 5 0 34 0.2562967269 0.841741118880 58 5 0 35 0.2540205891 0.842420341272 62 4 0 36 0.2519070648 0.843594508667 62 5 0 37 0.2496157026 0.843015696085 68 3 0 38 0.2476133236 0.843854691023 68 4 0 39 0.2454217452 0.842895543390 76 1 0 40 0.2435654404 0.843757501238 76 2 0 41 0.2421313011 0.847124073036 70 6 0 42 0.2398049155 0.843818875788 76 4 0 43 0.2382912487 0.845813300268 76 5 0 44 0.2364058123 0.844782415476 78 5 0 45 0.2348068307 0.845419749210 81 ( -1) 4 0 46 0.2336468306 0.848890903014 80 6 0 47 0.2315168355 0.844974118167 84 5 0 48 0.2303989130 0.848117620768 86 ( -2) 4 1 0 49 0.2288369900 0.847697586510 84 7 0 50 0.2273657514 0.847643498498 84 8 0 51 0.2261928806 0.849536122016 88 7 0 52 0.2243609800 0.846194511448 99 ( -1) 2 1 0 -- check_consistency(NO=52): CONTACTS wrong: 98 read and 99 calculated: 1 -- check_consistency(NO=52): TOUCH wrong: 2 read and 1 calculated: -1 53 0.2231597272 0.847332228909 94 6 0 54 0.2218655648 0.847515025734 89 ( -1) 9 0 55 0.2205869527 0.847569937774 98 6 0 56 0.2196642483 0.850137777206 104 ( -2) 3 2 0 57 0.2181818845 0.848149354872 98 8 0 58 0.2171892454 0.849745638314 108 4 0 59 0.2157994556 0.848020488179 106 6 0 60 0.2145460325 0.847147143698 113 ( -1) 3 1 0 61 0.2136861801 0.849189431960 111 ( -1) 5 1 0 -- check_consistency(NO=61): CONTACTS wrong: 110 read and 111 calculated: 1 -- check_consistency(NO=61): TOUCH wrong: 0 read and 1 calculated: 1 -- check_consistency(NO=61): LOOSE wrong: 6 read and 5 calculated: -1 62 0.2125878870 0.849154647009 113 ( -1) 5 1 0 -- check_consistency(NO=62): CONTACTS wrong: 112 read and 113 calculated: 1 -- check_consistency(NO=62): TOUCH wrong: 0 read and 1 calculated: 1 -- check_consistency(NO=62): LOOSE wrong: 6 read and 5 calculated: -1 63 0.2112069138 0.846663356564 120 3 0 64 0.2103142935 0.847902416330 119 ( -1) 4 1 0 -- check_consistency(NO=64): CONTACTS wrong: 118 read and 119 calculated: 1 -- check_consistency(NO=64): TOUCH wrong: 0 read and 1 calculated: 1 -- check_consistency(NO=64): LOOSE wrong: 5 read and 4 calculated: -1 65 0.2089751764 0.845362113927 118 ( -2) 5 1 0 -- check_consistency(NO=65): CONTACTS wrong: 117 read and 118 calculated: 1 66 0.2086210405 0.850644528932 120 6 0 67 0.2068486591 0.844211598264 120 7 0 68 0.2059314649 0.844583777380 128 4 0 69 0.2050663659 0.845233887180 124 7 0 -- check_consistency(NO=69): CONTACTS wrong: 123 read and 124 calculated: 1 -- check_consistency(NO=69): TOUCH wrong: 1 read and 0 calculated: -1 ------------------------------------------------------------------------------------------------------- ( unlikely) ..1000/1 cycs/stps [29.291 us/cyc/obj] eltr = 0.146 <1> ( unlikely) ..4890/10 cycs/stps [0.388 us/cyc/obj] eltr = 0.158 <1> ( unlikely) ..1000/1 cycs/stps [0.294 us/cyc/obj] eltr = 0.160 <1> ( unlikely) ..1000/1 cycs/stps [0.311 us/cyc/obj] eltr = 0.163 <1> !! step(NO=9,step=1): *** packing has overlaps after successful step ***: NSD[0] = 2 !! step(NO=9,step=1): ovl_pair = 9|-1 (cell 1|0) ovl_tmp = -0.028614916614 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -- track_pair(caller='step()',step=1,cycle=528): NSD[0] = 2 .. track_pair(): object 9 (cell 1|0): radius = 0.118736428340 coord = 0.900084009503 | -0.133145181145 displ = 0.000000000000 | 0.000000000000 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% plotting of 'ccib9.ovl.ps' 0.766215322601 (- -> -):