NO radius density contacts loosed touched bound symm check ------------------------------------------------------------------------------------------------------- 5 0.6135117904 0.716065217700 3 ( -1) 3 2 0 6 0.6135117904 0.750588400374 3 ( -1) 4 2 0 7 0.6135071778 0.778685888250 10 2 0 8 0.6129388668 0.800724792414 16 0 9 0.6105513049 0.814411144239 16 1 0 10 0.6071803060 0.822554905022 18 1 0 11 0.6059453570 0.834221014708 18 2 0 12 0.6035876313 0.841002637319 18 3 0 13 0.6014031820 0.846758714385 22 2 0 14 0.5987365957 0.849890718995 14 7 0 15 0.5977282541 0.856688472138 18 6 0 16 0.5953685750 0.858729661115 28 2 0 17 0.5938803105 0.862510452140 20 7 0 18 0.5931109304 0.867734300797 26 5 0 19 0.5918796707 0.871045066045 22 8 0 20 0.5894670288 0.870358843847 30 5 0 21 0.5886012560 0.873783816790 18 12 0 22 0.5880042313 0.877620861776 24 10 0 23 0.5868772663 0.879525717161 32 7 0 24 0.5863769261 0.882993430694 34 7 0 25 0.5839994349 0.880513246036 34 8 0 26 0.5832286882 0.882606803058 34 9 0 27 0.5817384264 0.882280124088 52 1 0 28 0.5807507668 0.883253601487 48 4 0 29 0.5805758688 0.886504836731 34 12 0 30 0.5796964494 0.887426236750 20 20 0 31 0.5795838159 0.890530873937 22 20 0 32 0.5790104072 0.892069600447 30 17 0 33 0.5774036074 0.890275075532 20 23 0 34 0.5770391717 0.892174617185 22 23 0 35 0.5767717583 0.894253598358 22 24 0 36 0.5767203845 0.896892383922 50 11 0 37 0.5765885082 0.899178727793 52 11 0 38 0.5758220187 0.899385030243 46 15 0 39 0.5746586989 0.898251584116 63 ( -1) 7 1 0 40 0.5745672442 0.900378947244 62 9 0 41 0.5737072104 0.900013625450 26 28 0 42 0.5731846061 0.900625066114 54 ( -4) 13 5 0 43 0.5727209985 0.901346104544 55 ( -1) 15 1 0 44 0.5723080777 0.902155443887 52 18 0 45 0.5724025224 0.904500232395 50 20 0 46 0.5721378502 0.905650018695 54 19 0 47 0.5711426621 0.904425351200 67 ( -1) 13 1 0 -- check_consistency(NO=47): CONTACTS wrong: 66 read and 67 calculated: 1 -- check_consistency(NO=47): TOUCH wrong: 0 read and 1 calculated: 1 -- check_consistency(NO=47): LOOSE wrong: 14 read and 13 calculated: -1 48 0.5705335465 0.904363247931 73 ( -1) 11 1 0 -- check_consistency(NO=48): CONTACTS wrong: 72 read and 73 calculated: 1 -- check_consistency(NO=48): TOUCH wrong: 0 read and 1 calculated: 1 -- check_consistency(NO=48): LOOSE wrong: 12 read and 11 calculated: -1 49 0.5701788635 0.905052291983 66 16 0 50 0.5699649247 0.906136855352 64 18 0 51 0.5699594647 0.907837117006 85 ( -1) 8 0 52 0.5699471444 0.909471520028 87 ( -1) 8 0 53 0.5690596593 0.908267985072 92 ( -2) 6 3 0 -- check_consistency(NO=53): CONTACTS wrong: 91 read and 92 calculated: 1 -- check_consistency(NO=53): TOUCH wrong: 2 read and 3 calculated: 1 -- check_consistency(NO=53): LOOSE wrong: 7 read and 6 calculated: -1 54 0.5678160866 0.905882261311 94 ( -2) 6 4 0 55 0.5655366950 0.900152976662 76 17 0 57 0.5641566050 0.898701432748 86 14 0 58 0.5641077159 0.899963060288 56 ( -2) 29 3 0 59 0.5636907963 0.900016659990 84 17 0 60 0.5640693827 0.902580560700 70 25 0 ------------------------------------------------------------------------------------------------------- Improvements may be possible for: 44: 0.000094444715 59: 0.000378586363 ( unlikely) ..1000/1 cycs/stps [5.090 us/cyc/obj] eltr = 0.025 <1> !! step(NO=6,step=1): *** packing has overlaps after successful step ***: NSD[0] = 1 !! step(NO=6,step=1): ovl_pair = 6|-1 (cell 0|0) ovl_tmp = -0.032183707604 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -- track_pair(caller='step()',step=1,cycle=1): NSD[0] = 1 .. track_pair(): object 6 (cell 0|0): radius = 0.071186053909 coord = 0.365417400760 | 0.888811911277 displ = 0.000000000000 | 0.000000000000 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% plotting of 'ccic6.ovl.ps' 0.750588400374 (2 -> 2):