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working with library interface

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This commit is contained in:
Tom Swinburne
2020-04-14 21:11:32 +02:00
parent 276608738c
commit 6cbd61d929
9 changed files with 2491 additions and 994 deletions
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44
examples/USER/pafi/binary/pafi.lammps Normal file
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units metal
atom_style atomic
atom_modify map array sort 0 0.0
neigh_modify every 2 delay 10 check yes page 1000000 one 100000
## read in path data using fix property/atom
fix pa all property/atom d_nx d_ny d_nz d_dnx d_dny d_dnz d_ddnx d_ddny d_ddnz
read_data test.dat fix pa NULL PafiPath
run 0
## EAM potential
pair_style eam/fs
pair_coeff * * ../Fe.eam.fs Fe
mass * 55.85
thermo 100
compute pe all pe
variable pe equal pe
run 0
print "energy=${pe}"
## compute property/atom to access relevant fields
compute pa all property/atom d_nx d_ny d_nz d_dnx d_dny d_dnz d_ddnx d_ddny d_ddnz
run 0
## fix name group-id hp compute-id temperature damp seed overdamped 0/1 com 0/1
fix hp all hp pa 400.0 0.1 234 overdamped 1 com 1
run 1000
## minimize under same constraint (temperature effectively zero)
min_style fire
minimize 0 0 1000 1000
print "energy=${pe}"
## minimize without constraint
unfix hp
minimize 0 0 1000 1000
print "energy=${pe}"

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examples/USER/pafi/binary/test.dat Normal file
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examples/USER/pafi/pafipath.dat
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# USER-PAFI test data -
687 atoms
1 atom types
0.0000000000000000e+00 1.9987183999999999e+01 xlo xhi
0.0000000000000000e+00 1.9987183999999999e+01 ylo yhi
0.0000000000000000e+00 1.9987183999999999e+01 zlo zhi
Masses
1 55.85
Atoms
1 1 0.00528407 0.00391426 8.11661e-05 0.00528407 0.00391426 8.11661e-05 0.000767572 0.00111511 -0.000166277 -0.00377177 -0.0049179 -0.00439707
2 1 1.42764 1.42466 1.42317 1.42764 1.42466 1.42317 7.47824e-05 0.00125596 0.0012307 -0.00203625 -0.00449787 -0.00648731
3 1 2.85714 -0.000255876 -0.00153 2.85714 -0.000255876 -0.00153 -0.00106602 -0.000212421 -0.000631336 -0.000147838 -0.00503994 -0.00401106
4 1 4.28079 1.42345 1.42477 4.28079 1.42345 1.42477 -0.00222258 -0.000289482 0.000691063 -0.00156566 -0.00481694 -0.0057688
5 1 5.70926 0.000158292 0.000358096 5.70926 0.000158292 0.000358096 -0.0019074 -0.000194266 -0.000244595 0.00119338 -0.00388245 -0.00302279
6 1 7.13582 1.42509 1.426 7.13582 1.42509 1.426 -0.00175543 -0.000289931 0.000396184 -0.000432025 -0.00361814 -0.00407675
7 1 8.56295 0.00210881 0.00191953 8.56295 0.00210881 0.00191953 -0.00108245 9.40954e-05 -0.000100762 -9.62382e-05 -0.00344981 -0.00294758
8 1 9.9915 1.42684 1.42641 9.9915 1.42684 1.42641 -0.000350697 8.02598e-05 0.000332227 -0.00134018 -0.00305391 -0.0035603
9 1 11.4186 0.00381771 0.00257888 11.4186 0.00381771 0.00257888 -7.52155e-06 0.000298516 -1.65638e-05 -0.00386419 -0.00396842 -0.00366937
10 1 12.848 1.42809 1.42614 12.848 1.42809 1.42614 0.00102374 0.000272868 0.000273626 -0.00315584 -0.00407909 -0.00469268
11 1 14.2762 0.00527717 0.00264919 14.2762 0.00527717 0.00264919 0.000956334 0.000454751 -5.62877e-05 -0.00658801 -0.0049753 -0.00446512
12 1 15.7058 1.42859 1.42522 15.7058 1.42859 1.42522 0.00154352 0.000846248 0.000329792 -0.00401604 -0.00514458 -0.00660247
13 1 17.1355 0.00606398 0.00212618 17.1355 0.00606398 0.00212618 0.00139875 0.000863472 -0.000151595 -0.00632357 -0.00557103 -0.00490958
14 1 18.5637 1.42741 1.42356 18.5637 1.42741 1.42356 0.000143879 0.00202908 0.000975811 -0.00490872 -0.00418106 -0.00644345
15 1 -0.000150615 2.85343 19.983 -0.000150615 2.85343 19.983 -0.000128541 0.000632719 0.00042672 -0.00344931 -0.0028788 -0.00483557
16 1 1.42393 4.27658 1.42232 1.42393 4.27658 1.42232 -0.000357723 -0.000183469 0.0017389 -0.00264663 -0.00260847 -0.00665447
17 1 2.85251 2.85039 19.9849 2.85251 2.85039 19.9849 -0.00255591 -0.001496 0.00139399 -0.0030254 -0.00424403 -0.00280289
18 1 4.27748 4.27589 1.424 4.27748 4.27589 1.424 -0.00194345 -0.000992627 0.00138422 -0.00287336 -0.0025294 -0.00618728
19 1 5.70805 2.85119 19.9869 5.70805 2.85119 19.9869 -0.00316391 -0.00281188 0.00179728 -0.00139168 -0.00365908 -0.00218531
20 1 7.13536 4.2786 1.42615 7.13536 4.2786 1.42615 -0.00222062 -0.00250025 0.000378804 -0.00313306 -0.00350951 -0.00553194
21 1 8.56425 2.85332 19.9874 8.56425 2.85332 19.9874 -0.00109273 -0.00259068 0.00162362 -0.000819593 -0.00249621 -0.0021929
22 1 9.99214 4.28064 1.42653 9.99214 4.28064 1.42653 -0.000154857 -0.00211135 0.000468947 -0.00166371 -0.00294621 -0.00496945
23 1 11.4201 2.85464 19.9872 11.4201 2.85464 19.9872 0.000940593 -0.00217636 0.00142777 -0.0019616 -0.00255243 -0.00295861
24 1 12.8485 4.28099 1.42598 12.8485 4.28099 1.42598 0.00168169 -0.00164006 0.000313136 -0.000143403 -0.00378211 -0.00661101
25 1 14.2764 2.85503 19.9865 14.2764 2.85503 19.9865 0.00212352 -0.00154342 0.00109064 -0.00349336 -0.00364583 -0.00453921
26 1 15.7066 4.27941 1.42359 15.7066 4.27941 1.42359 0.000763543 0.000229995 0.00116733 -0.00193804 -0.00347941 -0.00716025
27 1 17.1335 2.85444 19.9846 17.1335 2.85444 19.9846 0.00126671 -4.73457e-05 0.00072677 -0.00415537 -0.00377393 -0.00491983
28 1 18.561 4.27939 1.42235 18.561 4.27939 1.42235 -0.00102235 0.00097607 0.00166057 -0.00415587 -0.00279248 -0.0069204
29 1 -0.000711408 5.70629 19.9844 -0.000711408 5.70629 19.9844 9.12732e-05 -0.00038427 0.000661296 -0.00339026 -0.000392853 -0.00512547
30 1 1.42445 7.13388 1.42369 1.42445 7.13388 1.42369 -0.000127474 -0.000908847 0.00119628 -0.00303436 -0.000796793 -0.00577805
31 1 2.85033 5.70508 19.9866 2.85033 5.70508 19.9866 -0.00257482 -0.00147387 0.00164881 -0.00325287 -0.000288907 -0.00333424
32 1 4.27723 7.13388 1.42567 4.27723 7.13388 1.42567 -0.00196162 -0.00113521 0.000782615 -0.00338407 -0.000894822 -0.00490392
33 1 5.70585 5.70544 19.9891 5.70585 5.70544 19.9891 -0.00338917 -0.00273897 0.00233513 -0.00198909 0.000105412 -0.00335341
34 1 7.1339 7.13458 1.42812 7.1339 7.13458 1.42812 -0.00144547 -0.00149223 0.000139319 -0.00302056 -0.00198931 -0.00492574
35 1 8.56379 5.70818 19.9894 8.56379 5.70818 19.9894 -0.00193984 -0.00342312 0.00198372 -0.00293893 -0.000517137 -0.00336247
36 1 9.99191 7.13715 1.42913 9.99191 7.13715 1.42913 -0.000402837 -0.0023052 -0.000865872 -0.00187119 -0.00374866 -0.00559846
37 1 11.4204 5.70946 19.9886 11.4204 5.70946 19.9886 0.00108284 -0.00295488 0.00163542 -0.00205394 -0.000760476 -0.00406791
38 1 12.8493 7.13633 1.42737 12.8493 7.13633 1.42737 0.000230511 -0.000667919 -0.000273516 -0.000623738 -0.00203069 -0.00604876
39 1 14.2769 5.70883 19.9871 14.2769 5.70883 19.9871 0.00167504 -0.00133129 0.00142855 -0.00211408 -0.00109321 -0.0043951
40 1 15.7055 7.13629 1.42459 15.7055 7.13629 1.42459 -0.00045407 0.000375669 0.000763734 -0.00248471 -0.00043761 -0.00547017
41 1 17.1318 5.70888 19.9846 17.1318 5.70888 19.9846 0.000297501 7.27373e-05 0.000775642 -0.00346742 -0.000710185 -0.00462388
42 1 18.5617 7.13458 1.42349 18.5617 7.13458 1.42349 -0.000565706 -0.000648364 0.00114902 -0.00357857 -0.00113297 -0.00622094
43 1 0.000947509 8.56274 19.9868 0.000947509 8.56274 19.9868 0.000439557 -0.000700938 0.00044846 -0.00355036 0.000877265 -0.00456664
44 1 1.42618 9.99293 1.42538 1.42618 9.99293 1.42538 0.000174834 -0.00104732 0.000695552 -0.00270091 -0.000646927 -0.0039761
45 1 2.85104 8.56344 19.9883 2.85104 8.56344 19.9883 -0.00193572 -0.000457081 0.00103517 -0.00291766 0.00123107 -0.00305929
46 1 4.27901 9.99308 1.42737 4.27901 9.99308 1.42737 -0.00155577 -0.000857053 0.000382379 -0.00262162 -0.00150207 -0.00280365
47 1 5.70602 8.56339 19.9903 5.70602 8.56339 19.9903 -0.00291675 -0.00139792 0.0016412 -0.00190806 -1.03773e-06 -0.00286887
48 1 7.13597 9.9917 1.42997 7.13597 9.9917 1.42997 -0.00183555 -0.000521443 -0.000918741 -0.00331339 -0.00179985 -0.00306906
49 1 8.56328 8.56429 19.9895 8.56328 8.56429 19.9895 -0.00196427 -0.002146 0.00141456 -0.00331222 -0.00139432 -0.00329164
50 1 9.99254 9.99129 1.43063 9.99254 9.99129 1.43063 -0.000868659 -0.000154001 -0.00148403 -0.00274789 -0.00213289 -0.00235166
51 1 11.4205 8.56557 19.9886 11.4205 8.56557 19.9886 -0.000193923 -0.00157227 0.000522513 -0.00341882 -0.00125986 -0.00297646
52 1 12.8485 9.99351 1.42898 12.8485 9.99351 1.42898 -0.000274864 -4.49747e-05 -0.000983572 -0.00249317 -0.00137552 -0.00265699
53 1 14.2755 8.5662 19.9879 14.2755 8.5662 19.9879 -4.59091e-05 4.35522e-05 0.000206059 -0.0035957 0.000413879 -0.00352099
54 1 15.7064 9.99332 1.42624 15.7064 9.99332 1.42624 -0.000110635 -0.000872581 0.000292242 -0.00315787 -0.000604779 -0.00380882
55 1 17.1336 8.56352 19.9877 17.1336 8.56352 19.9877 0.00068499 -0.000733552 0.000766508 -0.00372151 0.000559544 -0.00434904
56 1 18.5631 9.99238 1.42502 18.5631 9.99238 1.42502 -0.000379486 -0.00114151 0.000601799 -0.00443302 -0.000263279 -0.00435515
57 1 0.0028007 11.4213 0.00166032 0.0028007 11.4213 0.00166032 0.000652723 -0.000808215 0.000170191 -0.00375362 -0.000474426 -0.00366083
58 1 1.42829 12.8517 1.42696 1.42829 12.8517 1.42696 0.000174859 -0.000727777 0.000133222 -0.00224224 -0.0024152 -0.00277403
59 1 2.85256 11.4223 0.00227196 2.85256 11.4223 0.00227196 -0.0014774 0.000158593 0.000523988 -0.00203436 4.41682e-05 -0.00205552
60 1 4.28147 12.8505 1.42894 4.28147 12.8505 1.42894 -0.00185181 0.000125207 -0.000274744 -0.00210406 -0.00239477 -0.00205636
61 1 5.70738 11.4214 0.00406528 5.70738 11.4214 0.00406528 -0.00248084 0.000523887 0.000871045 -0.00120289 -0.000994035 -0.0021129
62 1 7.13791 12.8478 1.4306 7.13791 12.8478 1.4306 -0.00197303 0.000644072 -0.00140854 -0.00206432 -0.00310502 -0.000644631
63 1 8.56439 11.4205 0.00292891 8.56439 11.4205 0.00292891 -0.00144457 -8.78533e-05 0.000134776 -0.0027572 -0.00236983 -0.00177008
64 1 9.9936 12.8467 1.4311 9.9936 12.8467 1.4311 -0.000217177 0.000416179 -0.00166206 -0.00210172 -0.00394061 -0.000237384
65 1 11.4209 11.4216 0.00186068 11.4209 11.4216 0.00186068 -0.000586461 -0.00058127 -0.000995609 -0.00461539 -0.00299511 -0.00218967
66 1 12.8492 12.85 1.42978 12.8492 12.85 1.42978 0.000421942 -0.000187028 -0.00119637 -0.00420508 -0.00419885 -0.000848837
67 1 14.2777 11.4221 0.00200513 14.2777 11.4221 0.00200513 0.000125103 -0.000561279 -0.000486214 -0.00552879 -0.00125638 -0.00294183
68 1 15.7072 12.8514 1.42744 15.7072 12.8514 1.42744 0.000245497 -0.000839847 -0.000303315 -0.00583879 -0.0028319 -0.00168856
69 1 17.1357 11.4212 0.0027393 17.1357 11.4212 0.0027393 0.000337839 -0.000608333 0.000145137 -0.00574943 -0.000126572 -0.003985
70 1 18.5644 12.8515 1.42638 18.5644 12.8515 1.42638 -0.000212513 -0.00117999 0.000120316 -0.00535241 -0.00249643 -0.00308948
71 1 0.00470877 14.2804 0.00311382 0.00470877 14.2804 0.00311382 0.000788048 -0.000712245 -0.000314331 -0.00394074 -0.00340428 -0.00291295
72 1 1.43072 15.7085 1.42819 1.43072 15.7085 1.42819 4.52542e-05 0.000107246 -0.000744433 -0.00200331 -0.00450259 -0.00381664
73 1 2.85453 14.2802 0.00315465 2.85453 14.2802 0.00315465 -0.00116081 0.000375601 -0.000408725 -0.000679933 -0.00281428 -0.002277
74 1 4.28375 15.7059 1.43009 4.28375 15.7059 1.43009 -0.00205977 0.00113284 -0.00144786 -0.000947761 -0.00336531 -0.00336116
75 1 5.70903 14.2785 0.00476075 5.70903 14.2785 0.00476075 -0.00184771 0.000902795 -0.000198163 0.000125444 -0.00351056 -0.00167611
76 1 7.13878 15.7033 1.43099 7.13878 15.7033 1.43099 -0.00125094 0.000708018 -0.00168351 -0.000155559 -0.00454383 -0.00159189
77 1 8.56572 14.2759 0.00432671 8.56572 14.2759 0.00432671 -0.000372602 3.69874e-05 -0.000723538 -0.00130542 -0.00506488 -0.00167805
78 1 9.99229 15.7045 1.43092 9.99229 15.7045 1.43092 -0.00033965 0.000875521 -0.00158353 -0.00221587 -0.00517286 -0.000642729
79 1 11.4204 14.2784 0.00381346 11.4204 14.2784 0.00381346 -0.000107663 0.000107118 -0.000921574 -0.0047695 -0.00524253 -0.0023018
80 1 12.8481 15.7068 1.43016 12.8481 15.7068 1.43016 0.000867224 0.000557128 -0.00157057 -0.00442629 -0.00583332 -0.00125024
81 1 14.2796 14.2816 0.00462195 14.2796 14.2816 0.00462195 -8.64073e-05 -0.000749722 -0.00129845 -0.00837426 -0.0057404 -0.00429239
82 1 15.7076 15.7097 1.4287 15.7076 15.7097 1.4287 0.000801489 -0.000179681 -0.0011246 -0.00724684 -0.00608356 -0.00264147
83 1 17.1374 14.2811 0.00458382 17.1374 14.2811 0.00458382 0.000351807 -0.000485385 -0.000461934 -0.00705137 -0.00336935 -0.00323476
84 1 18.5655 15.7097 1.42749 18.5655 15.7097 1.42749 0.000420631 -0.000460924 -0.000745174 -0.00593305 -0.00513704 -0.00359146
85 1 0.00636109 17.1382 0.00336991 0.00636109 17.1382 0.00336991 0.00100148 -0.000106523 -0.000784591 -0.00382558 -0.00553945 -0.00328885
86 1 1.43196 18.5621 1.42747 1.43196 18.5621 1.42747 -0.000231119 0.00115432 -0.00101812 -0.00232392 -0.00481436 -0.00659476
87 1 2.85675 17.1355 0.00239304 2.85675 17.1355 0.00239304 -0.000909586 0.000245124 -0.00143381 0.000380634 -0.00498308 -0.00355025
88 1 4.28437 18.5592 1.42857 4.28437 18.5592 1.42857 -0.00151575 0.000369512 -0.00108094 0.000400105 -0.00471715 -0.00481507
89 1 5.71085 17.133 0.00316418 5.71085 17.133 0.00316418 -0.00121764 3.02691e-05 -0.00118023 0.00173965 -0.00526106 -0.00265181
90 1 7.13681 18.5599 1.42953 7.13681 18.5599 1.42953 -0.00169312 0.000810497 -0.00133248 0.000278616 -0.0039622 -0.00305945
91 1 8.56354 17.1343 0.00495314 8.56354 17.1343 0.00495314 -0.00120513 0.000607547 -0.000627154 -0.0011141 -0.0050601 -0.00204755
92 1 9.99097 18.5615 1.42972 9.99097 18.5615 1.42972 -0.000529309 0.000836658 -0.0014198 -0.00170101 -0.00471122 -0.00234146
93 1 11.4189 17.1363 0.00548506 11.4189 17.1363 0.00548506 3.2615e-05 0.000329864 -0.000789874 -0.00443078 -0.00628685 -0.00299947
94 1 12.8474 18.5631 1.4292 12.8474 18.5631 1.4292 0.000647238 0.000759441 -0.00133784 -0.0049604 -0.00526525 -0.00347103
95 1 14.2778 17.1386 0.00575008 14.2778 17.1386 0.00575008 0.000821114 0.000105053 -0.000920523 -0.00768047 -0.00636768 -0.00384544
96 1 15.7061 18.5649 1.42821 15.7061 18.5649 1.42821 0.00147819 0.000946716 -0.00141855 -0.00623025 -0.00579379 -0.00529496
97 1 17.1381 17.1403 0.00565287 17.1381 17.1403 0.00565287 0.000731258 -0.000210649 -0.0010058 -0.00810759 -0.00651338 -0.00423657
98 1 18.565 18.5648 1.4271 18.565 18.5648 1.4271 0.00111209 0.00105131 -0.00117217 -0.00538897 -0.00572698 -0.0061502
99 1 0.00486062 19.9891 2.85106 0.00486062 19.9891 2.85106 0.00111507 0.00244529 -0.000325513 -0.00254539 -0.00466572 -0.00866897
100 1 1.42577 1.42259 4.28036 1.42577 1.42259 4.28036 0.000664049 0.00185472 0.00143247 -0.00203976 -0.00472913 -0.00878858
101 1 2.85596 19.9849 2.85383 2.85596 19.9849 2.85383 -0.000935378 0.000586892 0.000231741 -0.00194819 -0.00505926 -0.00747162
102 1 4.27868 1.42105 4.27994 4.27868 1.42105 4.27994 -0.00131981 0.000159187 0.000611474 -0.00376805 -0.00495717 -0.00720617
103 1 5.709 19.9855 2.85463 5.709 19.9855 2.85463 -0.00243327 0.000534798 -0.00107565 -0.00156311 -0.00398857 -0.00563245
104 1 7.13557 1.4237 4.28138 7.13557 1.4237 4.28138 -0.00214476 -0.000677973 -0.00126716 -0.00378553 -0.00445673 -0.00560717
105 1 8.56317 19.9876 2.85459 8.56317 19.9876 2.85459 -0.00156671 0.000964848 -0.00170501 -0.00124162 -0.00343495 -0.00357391
106 1 9.9919 1.42572 4.2817 9.9919 1.42572 4.2817 -0.000421036 -0.000249861 -0.00141025 -0.00173903 -0.00421726 -0.00418574
107 1 11.4189 19.9892 2.85388 11.4189 19.9892 2.85388 -0.000104477 0.00128271 -0.00191422 -0.00260043 -0.00365484 -0.00367108
108 1 12.8487 1.42673 4.28077 12.8487 1.42673 4.28077 0.00144377 -0.000245848 -0.00118317 -2.71299e-05 -0.00519934 -0.00494254
109 1 14.2766 19.9906 2.85249 14.2766 19.9906 2.85249 0.00146219 0.00152796 -0.00185503 -0.00352947 -0.00468037 -0.00582601
110 1 15.708 1.42614 4.27855 15.708 1.42614 4.27855 0.000721242 0.00138899 0.000414499 -0.00322432 -0.00429874 -0.00524724
111 1 17.1364 19.9909 2.85059 17.1364 19.9909 2.85059 0.00166566 0.00227583 -0.00117465 -0.00471074 -0.00478112 -0.00735283
112 1 18.5637 1.42564 4.27947 18.5637 1.42564 4.27947 -0.000419916 0.00252931 0.00112838 -0.00339523 -0.00489614 -0.00891713
113 1 -2.19718e-05 2.85088 2.8507 -2.19718e-05 2.85088 2.8507 -0.000410916 0.00118737 0.00140229 -0.00278757 -0.00474027 -0.00906024
114 1 1.42168 4.27461 4.27745 1.42168 4.27461 4.27745 0.000228178 0.000563882 0.00160462 -0.00170835 -0.00456451 -0.00814453
115 1 2.84687 2.84439 2.84681 2.84687 2.84439 2.84681 0.00112646 0.00214046 0.00316726 -0.00131717 -0.00307038 -0.00689416
116 1 4.26185 4.26099 4.26393 4.26185 4.26099 4.26393 0.00489781 0.00543894 0.00630479 -0.00142792 -0.00136692 -0.00350232
117 1 5.70569 2.84634 2.84889 5.70569 2.84634 2.84889 -0.00237811 -0.000176499 0.000861411 -0.00521276 -0.00561471 -0.00769171
118 1 7.13181 4.26746 4.26978 7.13181 4.26746 4.26978 -0.00440766 -0.000616404 0.000117171 -0.0124598 -0.0116859 -0.011035
119 1 8.56382 2.84886 2.85027 8.56382 2.84886 2.85027 -0.00106108 -5.54076e-05 0.000688304 -0.00256128 -0.00479304 -0.00557764
120 1 9.99296 4.27099 4.27213 9.99296 4.27099 4.27213 0.000380918 0.000331555 0.000982284 -0.00172818 -0.0111374 -0.00964239
121 1 11.4208 2.85049 2.85062 11.4208 2.85049 2.85062 0.000921698 0.000226483 0.000743604 7.88491e-07 -0.00475863 -0.0054673
122 1 12.851 4.27307 4.27333 12.851 4.27307 4.27333 0.00411845 0.000436728 0.00088757 0.010337 -0.0120692 -0.011174
123 1 14.2784 2.85105 2.85007 14.2784 2.85105 2.85007 0.00173381 0.000796796 0.00106585 0.00104016 -0.00613661 -0.0075984
124 1 15.7181 4.26844 4.2684 15.7181 4.26844 4.2684 -0.00745967 0.0080179 0.00823059 -0.00628972 -0.000157205 -0.000614862
125 1 17.1384 2.84924 2.84782 17.1384 2.84924 2.84782 -0.00228829 0.00356844 0.00347389 -0.00558921 -0.00278527 -0.00575505
126 1 18.5621 4.27753 4.27836 18.5621 4.27753 4.27836 -0.00154274 0.00139054 0.00174285 -0.00218585 -0.00637547 -0.00962719
127 1 -0.000209912 5.70476 2.8498 -0.000209912 5.70476 2.8498 -0.000250899 -0.000600997 0.00079818 -0.00272622 -0.00391173 -0.00878686
128 1 1.42287 7.13321 4.2777 1.42287 7.13321 4.2777 3.88038e-05 -0.000936302 0.000513337 -0.00311217 -0.0050268 -0.00703339
129 1 2.84512 5.7022 2.84621 2.84512 5.7022 2.84621 0.00103222 1.32379e-06 0.00270721 -0.00261526 -0.00294895 -0.0062456
130 1 4.26263 7.12863 4.26571 4.26263 7.12863 4.26571 0.0042478 -0.000691461 0.00469341 -0.00379876 -0.00591391 -0.00334464
131 1 5.70171 5.70142 2.8493 5.70171 5.70142 2.8493 -0.000905357 -0.000413421 -0.000584094 -0.00648607 -0.00506654 -0.0079773
132 1 7.12367 7.1252 4.27504 7.12367 7.1252 4.27504 0.00124191 -0.00031981 0.000382522 -0.0110508 -0.01315 -0.0170589
133 1 8.56278 5.70602 2.8527 8.56278 5.70602 2.8527 -0.00222107 -0.00341148 -0.00261771 -0.00594391 -0.00942248 -0.00857554
134 1 9.99012 7.13345 4.28305 9.99012 7.13345 4.28305 -0.0011926 -0.00755391 -0.00962278 -0.000805579 -0.0238345 -0.0305735
135 1 11.4204 5.70757 2.85304 11.4204 5.70757 2.85304 0.00136448 -0.00300429 -0.00241748 0.00241767 -0.010328 -0.0100247
136 1 12.857 7.12803 4.27585 12.857 7.12803 4.27585 -0.00151239 -8.02687e-05 -0.00258596 0.00999275 -0.0134701 -0.0264936
137 1 14.281 5.70428 2.84923 14.281 5.70428 2.84923 8.34881e-05 0.000549913 -2.51162e-06 0.00346925 -0.00615417 -0.00888233
138 1 15.7156 7.13195 4.26953 15.7156 7.13195 4.26953 -0.00901222 0.00269832 0.00777179 -0.00186393 -0.0062868 -0.00373286
139 1 17.1373 5.70541 2.84748 17.1373 5.70541 2.84748 -0.00347051 0.00178767 0.0035913 -0.00354002 -0.00346384 -0.00646713
140 1 18.5647 7.1318 4.27568 18.5647 7.1318 4.27568 6.69101e-05 -0.0015587 -0.000237489 -0.000885391 -0.00595971 -0.0086373
141 1 0.00145188 8.56247 2.85032 0.00145188 8.56247 2.85032 0.000299754 -0.00138747 -0.000159845 -0.00286506 -0.00211556 -0.00655279
142 1 1.42505 9.99296 4.27921 1.42505 9.99296 4.27921 0.000243844 -0.00143693 4.09023e-05 -0.00317833 -0.00391006 -0.00407622
143 1 2.84741 8.56415 2.84868 2.84741 8.56415 2.84868 0.000847986 -0.00153667 0.00182762 -0.00337348 -0.00329787 -0.00433267
144 1 4.26887 9.99688 4.27137 4.26887 9.99688 4.27137 0.00259165 -0.00416451 0.00300103 -0.00492858 -0.0106273 -0.00129493
145 1 5.70341 8.56262 2.852 5.70341 8.56262 2.852 -0.00136066 -0.00206292 -0.000844894 -0.00582281 -0.00464817 -0.00476096
146 1 7.13141 9.9894 4.28187 7.13141 9.9894 4.28187 -0.00390351 -0.0017916 -0.00770926 -0.0139324 -0.00380476 -0.0148231
147 1 8.56109 8.56104 2.8576 8.56109 8.56104 2.8576 -0.000365585 -0.00102435 -0.00290221 -0.00394928 -0.00513485 -0.00953353
148 1 9.99205 9.98637 4.28283 9.99205 9.98637 4.28283 -0.00171905 0.00217916 -0.00618994 -0.00479248 -0.00840437 -0.00765107
149 1 11.4224 8.562 2.85716 11.4224 8.562 2.85716 -0.00122512 -0.000442547 -0.00303367 -0.00110861 -0.00460488 -0.00937188
150 1 12.8521 9.99276 4.28129 12.8521 9.99276 4.28129 -0.00202031 0.000943429 -0.00251234 0.000524806 -0.00720505 -0.00578277
151 1 14.2793 8.56415 2.85168 14.2793 8.56415 2.85168 -0.00160274 8.14409e-05 0.000486384 0.000847753 -0.00142712 -0.00571553
152 1 15.716 9.99346 4.26988 15.716 9.99346 4.26988 -0.0051376 -0.00625834 0.00429823 -0.000133192 -0.0078601 -0.00224912
153 1 17.138 8.56326 2.84789 17.138 8.56326 2.84789 -0.00215851 -0.0017023 0.00188597 -0.00234375 -0.00327173 -0.00517087
154 1 18.5671 9.98995 4.27467 18.5671 9.98995 4.27467 0.00136122 -0.00275526 -0.0017171 -0.00156855 -0.00276851 -0.00560796
155 1 0.00311524 11.4216 2.85131 0.00311524 11.4216 2.85131 0.000718736 -0.00141961 -0.000785684 -0.00270698 -0.00215983 -0.00454228
156 1 1.42739 12.851 4.28115 1.42739 12.851 4.28115 8.05055e-06 -0.000474878 -0.000711377 -0.00320203 -0.00293947 -0.00304944
157 1 2.85036 11.4241 2.85116 2.85036 11.4241 2.85116 0.000448522 -0.00178483 0.00109153 -0.00240328 -0.00403571 -0.0017633
158 1 4.27571 12.8545 4.27754 4.27571 12.8545 4.27754 -5.99705e-05 -0.0019892 0.000255293 -0.00607641 -0.00553416 -0.00207871
159 1 5.70761 11.4212 2.85463 5.70761 11.4212 2.85463 -0.00278979 -0.000682801 -0.00158982 -0.00661385 -0.00259008 -0.00360568
160 1 7.13698 12.8478 4.28301 7.13698 12.8478 4.28301 -0.00626759 0.00291746 -0.00827826 -0.0111398 -0.00077416 -0.00489755
161 1 8.56477 11.4178 2.85927 8.56477 11.4178 2.85927 -0.00204753 0.000852669 -0.00350403 -0.00414562 -0.00336331 -0.00339582
162 1 9.99466 12.8436 4.28765 9.99466 12.8436 4.28765 -0.000320237 0.00141157 -0.00650762 -0.00410404 -0.00228544 -0.00539407
163 1 11.4214 11.4191 2.85921 11.4214 11.4191 2.85921 -0.00022885 0.000483238 -0.00252126 -0.00215187 -0.00455185 -0.000686989
164 1 12.8518 12.8512 4.28001 12.8518 12.8512 4.28001 0.000262268 -0.00161499 -0.00349064 -0.00173162 -0.00675155 -0.00108143
165 1 14.2796 11.4224 2.85328 14.2796 11.4224 2.85328 0.000463586 -0.00121276 -0.000343311 -0.00166213 -0.00391128 -0.000635227
166 1 15.7156 12.8548 4.27153 15.7156 12.8548 4.27153 -0.00206741 -0.00488374 0.00122331 -0.00647934 -0.00613051 0.00494048
167 1 17.139 11.4227 2.84879 17.139 11.4227 2.84879 -0.00153565 -0.00282529 0.00123073 -0.00498069 -0.00254327 -0.00153893
168 1 18.5687 12.8505 4.27471 18.5687 12.8505 4.27471 0.00251179 -0.0015059 -0.00336187 -0.00244376 -0.00363588 -0.00406262
169 1 0.00495202 14.28 2.85239 0.00495202 14.28 2.85239 0.000935633 -0.00028583 -0.00152388 -0.00316994 -0.00343899 -0.00433463
170 1 1.43029 15.7066 4.28258 1.43029 15.7066 4.28258 -0.000532118 0.00130424 -0.00139813 -0.00331034 -0.0029182 -0.00450993
171 1 2.85419 14.2803 2.85409 2.85419 14.2803 2.85409 -0.000499022 -0.000364809 -0.000209045 -0.00243414 -0.00390678 -0.00256875
172 1 4.28381 15.704 4.2846 4.28381 15.704 4.2846 -0.00417691 0.00392122 -0.00384384 -0.0112186 0.00486218 -0.00990979
173 1 5.71073 14.2765 2.85667 5.71073 14.2765 2.85667 -0.00350526 0.00196883 -0.00318405 -0.00487156 -0.00166544 -0.00347816
174 1 7.13903 15.7009 4.28564 7.13903 15.7009 4.28564 -0.00302256 0.00306105 -0.00471 -0.00597542 0.00217908 -0.00640288
175 1 8.56674 14.2736 2.85842 8.56674 14.2736 2.85842 -0.00131594 0.00130594 -0.00330788 -0.00296251 -0.00349446 -0.00102307
176 1 9.99075 15.7038 4.28303 9.99075 15.7038 4.28303 -0.00290004 0.00418899 -0.00575257 -0.00324773 0.00267834 -0.00503829
177 1 11.4201 14.2763 2.85781 11.4201 14.2763 2.85781 0.000810557 0.00154999 -0.0027408 -0.00174238 -0.0037477 0.000220234
178 1 12.8485 15.7079 4.27967 12.8485 15.7079 4.27967 0.00210074 0.00488478 -0.00603624 0.0017517 -0.0021252 -0.000613756
179 1 14.2793 14.2807 2.85382 14.2793 14.2807 2.85382 0.00121301 -5.25831e-05 -0.00122714 -0.0039647 -0.00547024 0.00198961
180 1 15.7127 15.7129 4.27531 15.7127 15.7129 4.27531 0.00359328 0.00327001 -0.00305015 -0.0034384 -0.00387978 -0.000927458
181 1 17.139 14.282 2.85006 17.139 14.282 2.85006 -0.000304373 -0.0014142 -0.000201722 -0.00618945 -0.00514196 -0.00102146
182 1 18.5702 15.711 4.27459 18.5702 15.711 4.27459 0.00371066 0.00204589 -0.00443823 -0.00246106 -0.00346898 -0.00565502
183 1 0.00636641 17.1365 2.85272 0.00636641 17.1365 2.85272 0.00118831 0.00157995 -0.0020503 -0.0031562 -0.00436562 -0.0067892
184 1 1.4306 18.5609 4.28186 1.4306 18.5609 4.28186 0.000182325 0.00113615 9.13448e-05 -0.00235392 -0.00466631 -0.00690665
185 1 2.85784 17.133 2.85638 2.85784 17.133 2.85638 -0.00170953 0.00171455 -0.0015405 -0.00389021 -0.00205374 -0.00706747
186 1 4.28379 18.5581 4.28386 4.28379 18.5581 4.28386 -0.00133433 0.000589652 -0.000308488 -0.00318982 -0.00341067 -0.00566771
187 1 5.71162 17.1306 2.8576 5.71162 17.1306 2.8576 -0.00196999 0.00139399 -0.00213159 -0.00159078 -0.0024886 -0.00444122
188 1 7.13569 18.5606 4.28241 7.13569 18.5606 4.28241 -0.00338386 0.00245828 -0.00302357 -0.00370913 -0.00169954 -0.00410562
189 1 8.5641 17.1318 2.8568 8.5641 17.1318 2.8568 -0.0018424 0.00211201 -0.00306152 -0.00199401 -0.00243866 -0.00240462
190 1 9.98933 18.5636 4.28016 9.98933 18.5636 4.28016 -0.00213422 0.00327317 -0.0040734 -0.00230112 -0.00250301 -0.00211353
191 1 11.4189 17.1339 2.85568 11.4189 17.1339 2.85568 -0.000204822 0.0019302 -0.00279659 -0.00198944 -0.00403303 -0.00142902
192 1 12.8472 18.566 4.27758 12.8472 18.566 4.27758 0.000345773 0.00391196 -0.00465385 -0.00252995 -0.00264653 -0.00376631
193 1 14.2774 17.1364 2.85357 14.2774 17.1364 2.85357 0.00190773 0.00196556 -0.00285028 -0.00376394 -0.00429079 -0.00318906
194 1 15.7098 18.569 4.27403 15.7098 18.569 4.27403 0.00274364 0.00423022 -0.00416292 -0.00391891 -0.00380311 -0.00535589
195 1 17.1378 17.1385 2.85134 17.1378 17.1385 2.85134 0.0019087 0.0015694 -0.00230552 -0.00524463 -0.00502796 -0.00481142
196 1 18.5696 18.5684 4.27452 18.5696 18.5684 4.27452 0.00376561 0.00414135 -0.003226 -0.00161475 -0.00283909 -0.0089863
197 1 0.00294464 19.9873 5.70983 0.00294464 19.9873 5.70983 0.000927378 0.00195131 0.000632106 -0.00220502 -0.00421518 -0.00788061
198 1 1.42529 1.42309 7.13922 1.42529 1.42309 7.13922 0.000662 0.00141375 0.000663113 -0.00346045 -0.00532528 -0.00686146
199 1 2.85509 19.984 5.71142 2.85509 19.984 5.71142 -0.000370026 0.000358158 0.000820521 -0.00405873 -0.00509129 -0.00677383
200 1 4.27948 1.422 7.13892 4.27948 1.422 7.13892 -0.000503876 2.46217e-05 0.000673861 -0.006417 -0.00537015 -0.00579961
201 1 5.70906 19.9844 5.71145 5.70906 19.9844 5.71145 -0.00168838 0.000198474 -0.000226953 -0.00509502 -0.00353448 -0.00511613
202 1 7.13479 1.4243 7.13776 7.13479 1.4243 7.13776 -0.000903129 -0.000851645 -0.000219072 -0.00562753 -0.00487954 -0.00458906
203 1 8.56411 19.9867 5.71155 8.56411 19.9867 5.71155 -0.00184719 0.000547123 -0.00169434 -0.00409522 -0.00257582 -0.00370631
204 1 9.99255 1.42684 7.13848 9.99255 1.42684 7.13848 -0.000295038 -0.00172998 -0.00156068 -0.00237783 -0.00464569 -0.00432198
205 1 11.4198 19.9884 5.70997 11.4198 19.9884 5.70997 -0.000100228 0.000641175 -0.00198756 -0.00185496 -0.00328412 -0.00318304
206 1 12.8502 1.42692 7.13669 12.8502 1.42692 7.13669 0.000171199 -0.000703949 -0.000221771 -0.00113067 -0.00491452 -0.0024792
207 1 14.2785 19.9894 5.70738 14.2785 19.9894 5.70738 0.00127129 0.00115858 -0.00112488 -0.00153907 -0.00381417 -0.00385773
208 1 15.7071 1.42623 7.13694 15.7071 1.42623 7.13694 6.17775e-05 0.000948278 0.000418176 -0.000412318 -0.00486356 -0.00441497
209 1 17.137 19.9899 5.70704 17.137 19.9899 5.70704 0.00155617 0.00209584 -0.000522588 -0.00101809 -0.00398046 -0.00720031
210 1 18.5614 1.42553 7.139 18.5614 1.42553 7.139 -0.000835756 0.00188201 0.000803839 -0.00231458 -0.0054541 -0.00608554
211 1 -0.00117637 2.85076 5.70967 -0.00117637 2.85076 5.70967 -0.000412125 0.00129445 0.00118537 -0.00279563 -0.00661584 -0.00905008
212 1 1.4217 4.27652 7.13764 1.4217 4.27652 7.13764 0.000395919 0.000818862 0.000912171 -0.00328764 -0.00683073 -0.00730507
213 1 2.84554 2.84382 5.70648 2.84554 2.84382 5.70648 0.00228672 0.0029274 0.00222237 -0.00189706 -0.00337845 -0.00639032
214 1 4.26224 4.26271 7.13132 4.26224 4.26271 7.13132 0.00696785 0.00673894 0.00277416 0.00110733 0.00103412 -0.000926401
215 1 5.70091 2.84508 5.70343 5.70091 2.84508 5.70343 -0.001235 -0.00160558 0.000405393 -0.00570374 -0.00505392 -0.0046589
216 1 7.11991 4.26873 7.12358 7.11991 4.26873 7.12358 -0.000264993 -0.00121449 -0.000929433 -0.00148712 -0.00727889 -0.000190326
217 1 8.56277 2.84972 5.70715 8.56277 2.84972 5.70715 -0.00222256 -0.00363478 -0.00277919 -0.00416819 -0.00542719 -0.00559088
218 1 9.99045 4.27977 7.13135 9.99045 4.27977 7.13135 0.000355858 -0.0109835 -0.00757968 0.00329959 -0.0126076 -0.00571708
219 1 11.4212 2.85166 5.70788 11.4212 2.85166 5.70788 0.00185178 -0.00329182 -0.00262134 0.00170559 -0.00612527 -0.00625619
220 1 12.8581 4.27586 7.12756 12.8581 4.27586 7.12756 -0.00203229 -0.00170091 0.00165819 -0.0112499 -0.00412463 0.0101645
221 1 14.2819 2.84965 5.70469 14.2819 2.84965 5.70469 1.60884e-05 0.000141644 0.00127685 -0.00282469 -0.00204609 -0.000165091
222 1 15.7157 4.2715 7.1332 15.7157 4.2715 7.1332 -0.008688 0.00837323 0.00357811 -0.00378754 -0.00232328 -0.00293562
223 1 17.1381 2.84897 5.70699 17.1381 2.84897 5.70699 -0.00325557 0.00399156 0.00238443 -0.00320467 -0.00460769 -0.00638438
224 1 18.5598 4.27957 7.13843 18.5598 4.27957 7.13843 -0.001551 0.00133161 0.000971154 -0.00168826 -0.00769744 -0.00666864
225 1 -0.00158768 5.7051 5.70783 -0.00158768 5.7051 5.70783 -0.000307597 -7.90111e-05 0.000842695 -0.00180669 -0.00782206 -0.00902665
226 1 1.42265 7.13294 7.13541 1.42265 7.13294 7.13541 8.1196e-05 -4.49756e-05 0.000611836 -0.00483931 -0.00700242 -0.0055641
227 1 2.84268 5.69811 5.70103 2.84268 5.69811 5.70103 0.000521883 0.000977099 0.00212597 -0.000176548 -0.00207069 -0.00207091
228 1 4.26151 7.11829 7.12069 4.26151 7.11829 7.12069 0.00731999 0.00224111 0.00300096 0.00413059 0.00696391 0.0112404
229 1 5.66658 5.66822 5.67043 5.66658 5.66822 5.67043 0.0137366 0.0124607 0.0130564 0.00168633 0.00143649 0.00374919
230 1 7.04548 7.05245 7.05549 7.04548 7.05245 7.05549 0.0450394 0.0362733 0.0358776 0.0223704 0.00367252 0.000181476
231 1 8.56283 5.68625 5.68794 8.56283 5.68625 5.68794 -0.0114294 -0.00640837 -0.00540328 -0.0246546 -0.023536 -0.0209031
232 1 9.98845 7.13157 7.12806 9.98845 7.13157 7.12806 0.00263706 -0.058539 -0.0563512 -0.00461791 -0.0973938 -0.120301
233 1 11.419 5.69374 5.69424 11.419 5.69374 5.69424 0.0124922 -0.00432228 -0.00344597 0.023389 -0.0272464 -0.0278351
234 1 12.9088 7.0788 7.07672 12.9088 7.0788 7.07672 -0.0528386 0.0430587 0.0443031 -0.0202043 0.0054873 0.00308849
235 1 14.3059 5.6811 5.68053 14.3059 5.6811 5.68053 -0.0191992 0.0185381 0.0188303 -0.0127214 0.00700575 0.0108443
236 1 15.7095 7.13185 7.12943 15.7095 7.13185 7.12943 -0.00593716 0.00473106 0.00423008 0.0222524 -0.0123921 -0.00888887
237 1 17.1373 5.70424 5.70461 17.1373 5.70424 5.70461 -0.00269758 0.00228139 0.00255316 0.00118047 -0.00877785 -0.00843678
238 1 18.5605 7.13403 7.13615 18.5605 7.13403 7.13615 0.00018766 -0.00053913 0.000547911 0.0026112 -0.00938825 -0.00688428
239 1 0.000189113 8.56267 5.70766 0.000189113 8.56267 5.70766 0.0002439 -0.00135511 -0.000279099 -0.00210244 -0.00597533 -0.00714675
240 1 1.42518 9.99227 7.13696 1.42518 9.99227 7.13696 -0.000703099 -0.000823769 -0.000461923 -0.00586108 -0.00571891 -0.00439249
241 1 2.84593 8.56237 5.7039 2.84593 8.56237 5.7039 0.000404013 -0.00220624 0.000230314 -0.00350008 -0.00748 -0.00258889
242 1 4.27407 9.99115 7.12917 4.27407 9.99115 7.12917 -0.00429065 -0.00318273 -0.00175257 -0.00869801 -0.0084251 0.0012573
243 1 5.67351 8.5601 5.67915 5.67351 8.5601 5.67915 0.0119293 -0.00801245 0.00889977 0.000942507 -0.0196025 0.00255623
244 1 7.09704 10.0062 7.09539 7.09704 10.0062 7.09539 -0.00326494 -0.0290348 -0.00447411 -0.0167454 -0.0444319 -0.0265746
245 1 8.54388 8.54532 5.70375 8.54388 8.54532 5.70375 0.00512865 3.15156e-06 -0.0126062 -0.015413 -0.0197977 -0.0610617
246 1 9.9909 9.97205 7.06957 9.9909 9.97205 7.06957 -0.0133082 0.000295587 -0.00630605 -0.00948196 -0.00514225 0.0351906
247 1 11.4343 8.54706 5.702 11.4343 8.54706 5.702 -0.00714669 -0.00283499 -0.0151323 0.00410787 -0.0214158 -0.0469253
248 1 12.8724 10.0065 7.10437 12.8724 10.0065 7.10437 -0.0395936 -0.0226003 0.029317 -0.0310882 -0.025456 0.00288976
249 1 14.2972 8.56265 5.68775 14.2972 8.56265 5.68775 -0.0242895 -0.00113905 0.0188528 -0.00110415 -0.0114644 -0.00463499
250 1 15.7278 9.97866 7.11145 15.7278 9.97866 7.11145 0.0114753 -0.00942018 -0.00858977 0.00177059 -0.0148827 -0.00663794
251 1 17.144 8.55649 5.69783 17.144 8.55649 5.69783 0.00150064 -0.00461797 -0.00250954 0.00418437 -0.00733259 -0.00873343
252 1 18.562 9.99141 7.13502 18.562 9.99141 7.13502 0.00134537 -0.00175108 -0.00116012 0.000149502 -0.00667643 -0.00581706
253 1 0.00180558 11.4209 5.70797 0.00180558 11.4209 5.70797 0.000598503 -0.000943542 -0.00113967 -0.00274972 -0.00326173 -0.00408653
254 1 1.42669 12.8491 7.13876 1.42669 12.8491 7.13876 -0.000582713 0.000553607 -0.00127923 -0.00395972 -0.00290747 -0.00226183
255 1 2.84982 11.4226 5.70777 2.84982 11.4226 5.70777 -0.000378491 -0.00115689 -0.00108723 -0.00482213 -0.0047977 -0.00163504
256 1 4.27791 12.8492 7.13786 4.27791 12.8492 7.13786 -0.00496256 0.00317408 -0.0048647 0.00151389 -0.00934612 0.00376265
257 1 5.69163 11.4309 5.69516 5.69163 11.4309 5.69516 0.00333315 -0.00562881 0.00288548 -0.0151774 -0.0158349 -0.0100309
258 1 7.13651 12.8419 7.14154 7.13651 12.8419 7.14154 -0.0286511 0.026588 -0.0312078 -0.0714177 0.055141 -0.0777946
259 1 8.55831 11.4184 5.71243 8.55831 11.4184 5.71243 -0.0111224 0.00256411 -0.0131993 -0.0125926 -0.00643729 -0.0299135
260 1 9.99592 12.825 7.14569 9.99592 12.825 7.14569 0.000294632 0.0212214 -0.0372033 -0.00133495 0.0281746 -0.0283183
261 1 11.4265 11.4201 5.71706 11.4265 11.4201 5.71706 -0.0035273 -0.00310296 5.895e-05 -0.0160484 -0.0175516 -0.0120138
262 1 12.8603 12.8529 7.10058 12.8603 12.8529 7.10058 0.000942862 0.00537333 -0.038955 -0.00486552 -0.00497995 -0.0220394
263 1 14.2976 11.4275 5.69366 14.2976 11.4275 5.69366 -0.00741972 -0.0150564 0.00505532 -0.00525911 -0.0226134 -0.00370221
264 1 15.741 12.8515 7.09918 15.741 12.8515 7.09918 0.0117611 -0.0012969 -0.0192771 -0.018087 -0.0044324 0.0116046
265 1 17.1488 11.4173 5.69422 17.1488 11.4173 5.69422 0.00471084 -0.00424248 -0.00612034 -0.00290793 -0.00335504 -0.00140665
266 1 18.5642 12.8508 7.13357 18.5642 12.8508 7.13357 0.00136394 3.88409e-05 -0.00345965 -0.00236705 -0.0029268 -0.00404063
267 1 0.00361473 14.2792 5.7085 0.00361473 14.2792 5.7085 0.00064806 0.000883715 -0.00166096 -0.00264978 -0.00220464 -0.00370327
268 1 1.4284 15.7058 7.13861 1.4284 15.7058 7.13861 0.000256499 0.00039818 0.000111896 -0.00402773 -0.00115374 -0.00261559
269 1 2.85395 14.2777 5.7111 2.85395 14.2777 5.7111 -0.0020631 0.00193156 -0.00217139 -0.00408665 -0.00290688 -0.00103457
270 1 4.28013 15.7067 7.13652 4.28013 15.7067 7.13652 0.000132907 -0.00042427 0.00148387 -0.00258974 -0.00544325 0.00557365
271 1 5.71033 14.2743 5.71235 5.71033 14.2743 5.71235 -0.0103689 0.0104303 -0.0108045 -0.0309962 0.0207524 -0.0244053
272 1 7.13961 15.7022 7.1389 7.13961 15.7022 7.1389 6.89523e-05 0.000206646 -6.55512e-05 -0.0113406 -0.000968891 -0.00411818
273 1 8.56707 14.2688 5.71455 8.56707 14.2688 5.71455 -0.00582501 0.00527728 -0.0101437 -0.00794291 0.0118035 -0.0186312
274 1 9.97959 15.7184 7.12243 9.97959 15.7184 7.12243 -0.0124032 0.0139544 -0.0163815 -0.00202474 0.00492148 -0.00843796
275 1 11.4181 14.2784 5.71112 11.4181 14.2784 5.71112 -0.000125191 0.0126112 -0.0159685 -0.00289601 0.00755156 -0.0166415
276 1 12.8533 15.7375 7.09947 12.8533 15.7375 7.09947 -0.0016061 0.0135338 -0.0187766 -0.00646994 -0.0229894 0.0169321
277 1 14.2899 14.2879 5.69617 14.2899 14.2879 5.69617 0.0064366 0.00686913 -0.0132997 -0.00361005 -0.00615724 0.0128542
278 1 15.7482 15.7476 7.09424 15.7482 15.7476 7.09424 0.0186616 0.0186868 -0.0205688 0.000787848 -0.000200128 -0.00401846
279 1 17.1517 14.2851 5.69179 17.1517 14.2851 5.69179 0.00833272 0.00182741 -0.00999378 -0.00134229 -0.00534784 -0.00268872
280 1 18.5663 15.7122 7.13263 18.5663 15.7122 7.13263 0.00144363 0.0032007 -0.00316479 0.000552666 0.00175926 -0.00612528
281 1 0.00505915 17.1362 5.7082 0.00505915 17.1362 5.7082 0.00131145 0.00168186 -0.000852918 -0.00221228 -0.00180897 -0.00616814
282 1 1.42904 18.5593 7.13957 1.42904 18.5593 7.13957 0.000496055 5.60001e-06 0.00113643 -0.00369947 -0.00345359 -0.00402497
283 1 2.85572 17.1331 5.71064 2.85572 17.1331 5.71064 -0.000249362 0.000321508 0.00061652 -0.0028671 -0.00387487 -0.00210975
284 1 4.28412 18.5572 7.14073 4.28412 18.5572 7.14073 -0.000545199 -0.00042336 0.000755553 -0.00536251 -0.00315473 -0.00275235
285 1 5.71143 17.1306 5.71208 5.71143 17.1306 5.71208 -0.00141231 0.000833613 -0.000608667 -0.00644793 -0.000588729 -0.00301494
286 1 7.13793 18.5583 7.14065 7.13793 18.5583 7.14065 -0.00251066 0.0013475 -0.00095819 -0.00692925 -0.000820913 -0.0025899
287 1 8.55988 17.1367 5.70612 8.55988 17.1367 5.70612 -0.00638091 0.0064288 -0.0070104 -0.00698416 0.00135025 -0.00333271
288 1 9.99232 18.56 7.139 9.99232 18.56 7.139 -0.00218986 0.0019393 -0.00301064 -0.00536089 -0.000776882 -0.00317987
289 1 11.4148 17.1428 5.70001 11.4148 17.1428 5.70001 -0.0026265 0.0079981 -0.00877283 0.0010879 -0.00156489 -0.00127181
290 1 12.8501 18.5627 7.13422 12.8501 18.5627 7.13422 0.000512088 0.00191386 -0.00359182 -0.00195252 -0.0030065 -0.00275801
291 1 14.2842 17.1501 5.69206 14.2842 17.1501 5.69206 0.00265659 0.00914588 -0.00981695 -0.00572062 -0.00359984 -0.000413859
292 1 15.7118 18.5657 7.13208 15.7118 18.5657 7.13208 0.00364011 0.00159051 -0.00294066 0.00205613 -0.000659288 -0.00609594
293 1 17.1527 17.1526 5.69087 17.1527 17.1526 5.69087 0.00895703 0.00883645 -0.00881199 0.000704747 -2.67714e-05 -0.00720195
294 1 18.5661 18.5651 7.13719 18.5661 18.5651 7.13719 0.00237197 0.00252168 0.000286165 -0.000361421 -0.00148333 -0.00437983
295 1 0.00193524 19.9874 8.56744 0.00193524 19.9874 8.56744 0.000670467 0.00126496 0.000624325 -0.00243791 -0.00346313 -0.00268248
296 1 1.42538 1.42438 9.99615 1.42538 1.42438 9.99615 0.000634173 0.00105507 -0.000401319 -0.00384073 -0.00434837 -0.00150958
297 1 2.85513 19.9843 8.56808 2.85513 19.9843 8.56808 -4.68669e-05 -0.000221725 0.000572092 -0.00563314 -0.00409762 -0.00299541
298 1 4.28083 1.42352 9.99592 4.28083 1.42352 9.99592 -0.000307007 -0.000200034 -0.000409338 -0.00731237 -0.00436589 -0.00288482
299 1 5.71087 19.9843 8.56852 5.71087 19.9843 8.56852 -0.000801342 -0.000375268 0.000262668 -0.00715495 -0.00282428 -0.002855
300 1 7.13806 1.42637 9.99426 7.13806 1.42637 9.99426 -0.000677136 -0.00141545 0.000223049 -0.00696187 -0.00409619 -0.00368945
301 1 8.56615 19.9855 8.56782 8.56615 19.9855 8.56782 -0.000580365 -0.000547926 -0.000329665 -0.00524038 -0.00239324 -0.00259709
302 1 9.99365 1.42811 9.99198 9.99365 1.42811 9.99198 -0.000103737 -0.00190989 0.000513782 -0.0032915 -0.00306864 -0.00399607
303 1 11.4221 19.9861 8.56613 11.4221 19.9861 8.56613 -0.000108842 -0.00047933 -0.000966338 -0.00274571 -0.00229043 -0.00303062
304 1 12.8485 1.4281 9.99287 12.8485 1.4281 9.99287 0.000187383 -0.00128148 9.77871e-05 -0.00177867 -0.00312167 -0.00402715
305 1 14.2784 19.9878 8.56443 14.2784 19.9878 8.56443 0.000939551 0.000256944 -0.000891454 0.000131328 -0.00341755 -0.00273419
306 1 15.704 1.42691 9.99494 15.704 1.42691 9.99494 -0.000804843 0.000512815 -6.61001e-05 -0.000793611 -0.00409249 -0.00191257
307 1 17.1337 19.9883 8.56681 17.1337 19.9883 8.56681 3.99514e-05 0.000714925 0.00057005 -0.000814991 -0.00379691 -0.00199758
308 1 18.56 1.42663 9.99578 18.56 1.42663 9.99578 -0.000974401 0.00141684 -0.000224913 -0.00210928 -0.00455761 -0.000965539
309 1 -0.00210127 2.8524 8.56777 -0.00210127 2.8524 8.56777 -0.000413067 0.00100254 0.000302608 -0.00283921 -0.00706896 -0.00488914
310 1 1.42209 4.27893 9.99582 1.42209 4.27893 9.99582 0.000476445 0.000886169 -0.000605466 -0.00389171 -0.00679325 -0.00388613
311 1 2.84692 2.84627 8.56766 2.84692 2.84627 8.56766 0.00184491 0.00216858 -0.000617111 -0.00442758 -0.00469939 -0.00595639
312 1 4.26689 4.26773 9.99833 4.26689 4.26773 9.99833 0.00429968 0.00437362 -0.00484832 -0.00192385 -0.000362933 -0.0111996
313 1 5.70395 2.84862 8.56598 5.70395 2.84862 8.56598 0.000201838 -0.000528292 -0.000279288 -0.00718448 -0.00509521 -0.005744
314 1 7.1306 4.28005 9.99235 7.1306 4.28005 9.99235 -0.00136551 -0.00348932 0.000697938 -0.00496227 -0.00922713 -0.0082593
315 1 8.56052 2.85354 8.56155 8.56052 2.85354 8.56155 -5.51855e-05 -0.00491699 -0.000136291 -0.00403075 -0.00494836 -0.004796
316 1 9.98809 4.28337 9.98333 9.98809 4.28337 9.98333 -0.00125984 -0.00132003 0.00263315 -0.00139036 -0.00101825 -0.00776343
317 1 11.4222 2.85558 8.56219 11.4222 2.85558 8.56219 -0.00112273 -0.00391874 0.000781456 -0.00372558 0.000193671 -0.00301917
318 1 12.8494 4.28464 9.99121 12.8494 4.28464 9.99121 -0.000764565 -0.00185753 0.00109886 -0.0115556 0.00458579 -0.0152679
319 1 14.2789 2.85313 8.56502 14.2789 2.85313 8.56502 -0.00119617 0.000603594 0.000371504 -0.000357505 -0.00402986 -0.00288433
320 1 15.7089 4.27769 9.99733 15.7089 4.27769 9.99733 -0.00734873 0.00696095 -0.00347169 -0.00432038 -0.00100514 -0.0052957
321 1 17.1345 2.85146 8.56773 17.1345 2.85146 8.56773 -0.0032097 0.00314738 9.04984e-06 -0.0018373 -0.00506778 -0.00408967
322 1 18.5578 4.28208 9.99556 18.5578 4.28208 9.99556 -0.00143661 0.0012256 -0.000486641 -0.0013436 -0.00749925 -0.00237557
323 1 -0.00308997 5.70834 8.56708 -0.00308997 5.70834 8.56708 -0.000215034 0.000186471 0.000279173 -0.00224821 -0.0091176 -0.00513954
324 1 1.42349 7.13656 9.99433 1.42349 7.13656 9.99433 -9.80807e-05 0.000332049 -0.000297167 -0.00558544 -0.0074962 -0.00416355
325 1 2.84504 5.7021 8.56523 2.84504 5.7021 8.56523 0.00196802 0.00161651 -0.000255984 -0.00250518 -0.00421671 -0.00550995
326 1 4.27352 7.12751 9.99334 4.27352 7.12751 9.99334 0.00217784 0.00315202 -0.0024373 -0.00461472 0.00176777 -0.0048998
327 1 5.67213 5.67574 8.56206 5.67213 5.67574 8.56206 0.0199272 0.0161233 -0.000984703 0.0210236 0.019537 -0.00238335
328 1 7.09536 7.09464 10.0103 7.09536 7.09464 10.0103 0.0273274 0.0272767 -0.020746 0.0337819 0.0320461 -0.0126672
329 1 8.53572 5.68801 8.53702 8.53572 5.68801 8.53702 0.00293431 -0.0253285 -0.00250931 0.0128009 0.0243254 0.00565292
330 1 9.96841 7.08895 9.93598 9.96841 7.08895 9.93598 -0.0141346 0.0362861 -0.00351251 -0.0045108 0.0471389 0.0423803
331 1 11.4336 5.69622 8.54499 11.4336 5.69622 8.54499 -0.0103013 -0.0151838 0.00350726 -0.0466637 0.0878994 0.0180528
332 1 12.8723 7.1138 9.99236 12.8723 7.1138 9.99236 -0.0346275 0.031157 -0.0259035 -0.0171478 0.0183863 0.00732484
333 1 14.298 5.69146 8.56082 14.298 5.69146 8.56082 -0.022737 0.0195294 -9.60462e-05 -0.00774908 0.00428166 -0.00184826
334 1 15.698 7.14196 9.99581 15.698 7.14196 9.99581 -0.00150054 0.00404031 -0.000329444 -0.000431755 -0.000706709 0.00213053
335 1 17.1319 5.70948 8.56674 17.1319 5.70948 8.56674 -0.00313555 0.00206443 0.000218592 0.000593638 -0.0077854 -0.00181459
336 1 18.5563 7.139 9.99498 18.5563 7.139 9.99498 2.44964e-05 -5.12071e-05 3.53058e-05 -0.000380604 -0.00808299 -0.0031184
337 1 -0.00252972 8.56468 8.56584 -0.00252972 8.56468 8.56584 -0.000114605 -0.000111971 0.000246137 -0.00254068 -0.00674223 -0.00410257
338 1 1.42505 9.99301 9.99355 1.42505 9.99301 9.99355 -0.000722907 -0.000172955 -0.000614669 -0.00428 -0.00556453 -0.00389182
339 1 2.84768 8.55997 8.56184 2.84768 8.55997 8.56184 0.00175648 -0.000770444 -0.000774659 -0.00392771 -0.00533668 -0.00270437
340 1 4.28082 9.98569 9.98882 4.28082 9.98569 9.98882 -0.00642743 -0.000162194 -0.00254151 0.0137759 -0.00867003 -0.00684003
341 1 5.66585 8.5363 8.53796 5.66585 8.5363 8.53796 0.021854 -0.00160857 -0.00465443 0.0550239 0.0337646 0.0372359
342 1 7.10942 9.93985 9.94035 7.10942 9.93985 9.94035 -0.0307683 0.00414501 -0.0176841 0.254677 0.0964255 0.114566
343 1 8.32911 8.39268 8.40276 8.32911 8.39268 8.40276 0.174766 0.0470795 0.0338485 0.121806 0.0949959 0.0620389
344 1 9.89383 9.57977 9.43553 9.89383 9.57977 9.43553 -0.0973199 0.391714 0.206369 -0.155892 0.262884 0.166884
345 1 11.5815 8.44466 8.44822 11.5815 8.44466 8.44822 -0.224623 0.0739857 0.0841395 -0.0493747 0.0351395 0.0228073
346 1 12.8048 10.0109 9.99038 12.8048 10.0109 9.99038 0.0177716 0.0193984 0.00967999 -0.0299563 0.0185064 -0.00720077
347 1 14.2893 8.56514 8.55554 14.2893 8.56514 8.55554 -0.0264569 0.00290809 0.00115268 0.00178123 -0.00926674 -0.00688917
348 1 15.7018 9.99312 9.98663 15.7018 9.99312 9.98663 0.0062043 -0.00359776 -0.00278249 -0.000979344 -0.0178369 -0.00930136
349 1 17.1338 8.56221 8.56299 17.1338 8.56221 8.56299 0.000361714 -0.00207802 -0.000467022 0.00540242 -0.00967713 -0.00565195
350 1 18.5546 9.99622 9.99327 18.5546 9.99622 9.99327 -0.00097496 0.000550075 -0.000332118 -0.00214219 -0.00528887 -0.00323141
351 1 -0.00160538 11.4215 8.56585 -0.00160538 11.4215 8.56585 -9.5726e-05 0.000163618 -0.000970805 -0.00307244 -0.00360955 -0.00301006
352 1 1.42646 12.8487 9.9943 1.42646 12.8487 9.9943 -0.000184375 -0.000583039 -0.000223897 -0.0050539 -0.00221894 -0.00213751
353 1 2.853 11.419 8.56618 2.853 11.419 8.56618 -0.0013698 0.000576832 -0.00231691 -0.00550763 -0.0063959 -0.00226671
354 1 4.2832 12.8481 9.99401 4.2832 12.8481 9.99401 -0.00135934 -0.00389627 0.000314882 -0.00456839 -0.00736713 -0.00993778
355 1 5.69992 11.4166 8.56141 5.69992 11.4166 8.56141 -0.00541313 0.00300147 -0.012512 0.0194687 -0.0318834 0.008848
356 1 7.11535 12.8717 9.97899 7.11535 12.8717 9.97899 -0.0101401 -0.0084134 0.0101888 0.100201 -0.10752 -0.0173634
357 1 8.5611 11.4125 8.60263 8.5611 11.4125 8.60263 -0.09985 0.061535 -0.123743 -0.150786 0.0736522 -0.27976
358 1 10.0251 12.8628 9.99932 10.0251 12.8628 9.99932 0.0109473 -0.100852 -0.00704511 -0.0239107 -0.0407909 0.00660651
359 1 11.4259 11.4138 8.6253 11.4259 11.4138 8.6253 -0.00799408 0.00820171 0.00129475 -0.00661116 -0.0242569 -0.0899892
360 1 13.0132 13.0112 9.66613 13.0132 13.0112 9.66613 0.0272602 0.0245422 -0.201495 -0.0792402 -0.0856877 0.0266792
361 1 14.332 11.3925 8.51749 14.332 11.3925 8.51749 0.0239938 -0.020961 -0.0275056 -0.000720602 -0.0183183 -0.00637568
362 1 15.7131 12.8715 9.96789 15.7131 12.8715 9.96789 0.0075637 0.0101391 -0.0251483 0.00503128 0.00467938 -0.0228577
363 1 17.1344 11.4228 8.56001 17.1344 11.4228 8.56001 0.00362658 2.49853e-05 -0.00485719 0.00362137 -0.00831265 -0.00721091
364 1 18.5571 12.8532 9.99129 18.5571 12.8532 9.99129 -0.000186004 0.000862789 -0.00217077 -0.00285671 -0.00136598 -0.00383409
365 1 0.00059518 14.2787 8.56525 0.00059518 14.2787 8.56525 0.000580707 0.000668857 -0.00102722 -0.00306945 -0.000458623 -0.00230506
366 1 1.42718 15.704 9.99524 1.42718 15.704 9.99524 0.000645118 -0.00112408 0.000675562 -0.0046633 -0.000530353 -0.000177049
367 1 2.85376 14.2768 8.56699 2.85376 14.2768 8.56699 0.000529773 -0.000401139 0.000748397 -0.00607361 -0.00226995 -0.00197118
368 1 4.28085 15.7054 9.99395 4.28085 15.7054 9.99395 0.00420772 -0.00495137 0.00342896 -0.00471413 -0.00376916 2.99329e-05
369 1 5.70246 14.2834 8.55847 5.70246 14.2834 8.55847 0.00189108 -0.00288236 0.00267815 0.00341241 -0.0165616 0.0190312
370 1 7.14518 15.6962 9.99954 7.14518 15.6962 9.99954 0.00234401 -0.00310698 -0.000545975 -0.00768432 -0.0119605 -0.0037299
371 1 8.56997 14.2708 8.56385 8.56997 14.2708 8.56385 0.0046727 -0.0103824 0.00359525 -0.0142005 0.0143502 -0.0183972
372 1 9.9959 15.6997 9.99601 9.9959 15.6997 9.99601 -0.00802172 0.00200144 -0.0127803 -0.0105931 0.00620223 -0.0105845
373 1 11.4004 14.326 8.51713 11.4004 14.326 8.51713 -0.0282536 0.0315026 -0.0286028 -0.0147435 -0.0213147 0.0221706
374 1 12.8739 15.7117 9.96898 12.8739 15.7117 9.96898 0.00906892 0.00762551 -0.0273668 0.00185016 0.00814391 -0.0200177
375 1 14.3752 14.3729 8.46332 14.3752 14.3729 8.46332 0.0504959 0.0515425 -0.055698 -0.0113567 -0.0144645 0.0184694
376 1 15.7199 15.7199 10.003 15.7199 15.7199 10.003 -0.000561003 -0.000590943 0.00664066 -0.00514222 -0.0048144 -0.00505897
377 1 17.1424 14.2897 8.55341 17.1424 14.2897 8.55341 0.00894948 0.00631498 -0.00925307 0.00558362 0.00321997 -0.00920997
378 1 18.5608 15.7064 9.99512 18.5608 15.7064 9.99512 -0.00104043 -0.000181758 0.000307615 -0.003452 -0.00022862 -0.000161854
379 1 0.00213925 17.1334 8.56724 0.00213925 17.1334 8.56724 0.000573318 -7.50279e-05 0.000677438 -0.00294505 -0.00111736 -0.00105521
380 1 1.42844 18.5593 9.99532 1.42844 18.5593 9.99532 0.000656707 -0.000673936 0.000620357 -0.00402876 -0.00211416 0.000698861
381 1 2.85511 17.1318 8.56732 2.85511 17.1318 8.56732 0.00124235 -0.00175552 0.00196552 -0.00476516 -0.00206418 -0.00029727
382 1 4.28414 18.5573 9.99547 4.28414 18.5573 9.99547 0.000284023 -0.00125179 0.000500453 -0.00584272 -0.00225929 3.05559e-05
383 1 5.71341 17.1283 8.56922 5.71341 17.1283 8.56922 -7.63716e-05 -0.00128721 0.000821481 -0.00616368 -0.00194977 -2.47773e-05
384 1 7.14064 18.5561 9.99656 7.14064 18.5561 9.99656 -0.000791741 -0.000245562 -0.000150176 -0.00706311 -0.00138131 -0.00197524
385 1 8.56582 17.1301 8.56851 8.56582 17.1301 8.56851 -0.00416799 0.00328968 -0.00316446 -0.00957137 -0.000681783 -0.00315557
386 1 9.99703 18.5545 9.99533 9.99703 18.5545 9.99533 9.47356e-05 -0.0013468 -0.00154383 -0.00439909 -0.00165586 -0.0029204
387 1 11.424 17.1313 8.56305 11.424 17.1313 8.56305 -0.001547 0.00549538 -0.00708019 -0.00691256 0.00143423 -0.00642971
388 1 12.8532 18.5573 9.99143 12.8532 18.5573 9.99143 0.000644489 -0.000932368 -0.00254569 -0.00274319 -0.0016139 -0.0036097
389 1 14.2898 17.1417 8.55316 14.2898 17.1417 8.55316 0.00652497 0.00925556 -0.00910155 0.00302292 0.0037384 -0.00808479
390 1 15.7061 18.5615 9.99452 15.7061 18.5615 9.99452 -3.37986e-05 -0.00148761 0.000515037 -0.00143002 -0.0036179 -0.000233607
391 1 17.1435 17.1436 8.56592 17.1435 17.1436 8.56592 0.00422153 0.00403599 0.00174369 0.0014398 0.00119521 -0.000874245
392 1 18.5652 18.5651 9.99467 18.5652 18.5651 9.99467 0.00151628 0.00139206 0.000997561 -0.00122589 -0.00121935 0.00158643
393 1 0.00167434 0.00124089 11.4232 0.00167434 0.00124089 11.4232 0.000622463 0.0008327 -0.00021463 -0.00263082 -0.00241782 0.00279897
394 1 1.42593 1.42586 12.8511 1.42593 1.42586 12.8511 0.000455767 0.000624455 -0.00136152 -0.00298117 -0.00269823 0.00290836
395 1 2.85539 -0.0020256 11.423 2.85539 -0.0020256 11.423 0.000176231 -0.000540108 -0.000328019 -0.00483149 -0.00274157 0.00164919
396 1 4.28238 1.42497 12.85 4.28238 1.42497 12.85 -0.000644016 -0.000582668 -0.000972248 -0.00520387 -0.00270218 0.000659484
397 1 5.7119 -0.00193681 11.4221 5.7119 -0.00193681 11.4221 -0.000454169 -0.000830952 -0.000168717 -0.00630337 -0.00222942 -0.000732191
398 1 7.13996 1.42727 12.8475 7.13996 1.42727 12.8475 -0.000837497 -0.00120486 -0.000266595 -0.00555257 -0.0022859 -0.0025488
399 1 8.56862 -0.00190513 11.4209 8.56862 -0.00190513 11.4209 0.000191779 -0.00110026 -0.000206099 -0.00519141 -0.00163073 -0.00315083
400 1 9.99372 1.42878 12.8467 9.99372 1.42878 12.8467 -0.000337473 -0.00152652 0.0010137 -0.00345942 -0.00226978 -0.00372142
401 1 11.4232 -0.0015483 11.4211 11.4232 -0.0015483 11.4211 0.000254012 -0.00145595 -0.000192253 -0.00338512 -0.00264324 -0.00347297
402 1 12.8471 1.42896 12.8486 12.8471 1.42896 12.8486 0.000307983 -0.000898314 6.89853e-05 -0.00295343 -0.00206645 -0.0039382
403 1 14.2758 -0.000136684 11.4221 14.2758 -0.000136684 11.4221 -0.000336095 -0.00107979 -0.000314919 -0.00255378 -0.00271235 -0.00185595
404 1 15.7027 1.42831 12.8498 15.7027 1.42831 12.8498 -0.000444092 2.14769e-05 -0.00108848 -0.00391524 -0.00200529 -0.00182749
405 1 17.1326 0.00204521 11.4227 17.1326 0.00204521 11.4227 -0.000440146 0.000293525 -0.000221368 -0.00248768 -0.00304712 0.00136733
406 1 18.5594 1.42803 12.8507 18.5594 1.42803 12.8507 -0.000848117 0.00101777 -0.00140703 -0.00344603 -0.00294117 0.00225222
407 1 -0.00263737 2.854 11.4234 -0.00263737 2.854 11.4234 -0.000347474 0.000879709 -0.000826713 -0.002741 -0.00525292 0.000619307
408 1 1.42268 4.28095 12.8505 1.42268 4.28095 12.8505 0.000418744 0.000506059 -0.00137551 -0.00322807 -0.00412252 0.000384076
409 1 2.84845 2.84851 11.4252 2.84845 2.84851 11.4252 0.00128238 0.00157145 -0.00241042 -0.00411087 -0.00321973 -0.0032428
410 1 4.27205 4.27305 12.8545 4.27205 4.27305 12.8545 0.00155977 0.00169782 -0.00556251 -0.00452317 -0.00191161 -0.00957628
411 1 5.70791 2.85137 11.423 5.70791 2.85137 11.423 -0.00119073 -0.0012821 -0.000915484 -0.00829937 -0.00498779 -0.0052274
412 1 7.1374 4.28336 12.848 7.1374 4.28336 12.848 -0.00253316 -0.00122913 -0.00190263 -0.0134327 -0.00945823 -0.00546963
413 1 8.56531 2.85783 11.4185 8.56531 2.85783 11.4185 -0.000501058 -0.00308665 0.000791152 -0.00454526 -0.00565929 -0.00485827
414 1 9.98871 4.28897 12.8464 9.98871 4.28897 12.8464 -0.00278946 -0.00324524 0.00440054 -0.00141545 -0.0100241 -0.00254175
415 1 11.4187 2.85876 11.4184 11.4187 2.85876 11.4184 -0.000544731 -0.00292496 0.0013868 -0.00242137 -0.0015459 -0.00596592
416 1 12.8451 4.28694 12.8473 12.8451 4.28694 12.8473 -0.000201079 0.00177976 -0.000307092 -0.0025712 -0.00381289 -0.00849308
417 1 14.2747 2.85564 11.4218 14.2747 2.85564 11.4218 -0.00085965 0.000553775 -0.000365155 -0.00415648 -0.000345769 -0.00751465
418 1 15.7046 4.28195 12.8508 15.7046 4.28195 12.8508 -0.00464991 0.0043759 -0.00539905 -0.00555443 0.000106944 -0.0085252
419 1 17.1322 2.85345 11.4239 17.1322 2.85345 11.4239 -0.0028331 0.00262229 -0.00217174 -0.00293404 -0.00348083 -0.00216769
420 1 18.5567 4.28402 12.8497 18.5567 4.28402 12.8497 -0.00115041 0.000740579 -0.0013889 -0.00281771 -0.0046179 0.000183907
421 1 -0.00375436 5.71074 11.4223 -0.00375436 5.71074 11.4223 -5.80497e-05 0.000172883 -0.000488499 -0.00259963 -0.007143 -0.00135205
422 1 1.42324 7.13887 12.849 1.42324 7.13887 12.849 0.000451055 -0.000138941 -0.000515712 -0.00337149 -0.00439133 -0.0027467
423 1 2.84713 5.70606 11.4238 2.84713 5.70606 11.4238 0.0013321 0.00108061 -0.00189055 -0.0046457 -0.00498985 -0.0056045
424 1 4.27486 7.13455 12.8511 4.27486 7.13455 12.8511 0.00312138 -0.000226183 -0.00211884 -5.75557e-06 -0.00109449 -0.0149032
425 1 5.68636 5.68894 11.4309 5.68636 5.68894 11.4309 0.00619554 0.00564855 -0.0132063 0.00125887 0.00218837 -0.0231398
426 1 7.12776 7.13438 12.8375 7.12776 7.13438 12.8375 -0.00891032 -0.0134359 -0.00899872 -0.0226775 -0.0267375 -0.00752692
427 1 8.56219 5.71717 11.4157 8.56219 5.71717 11.4157 -0.00193027 -0.00706929 -0.00295188 -0.00750147 -0.0265938 0.00566974
428 1 9.96998 7.14686 12.8569 9.96998 7.14686 12.8569 -0.0180368 -0.03837 0.039076 0.0104813 -0.0126945 0.0138542
429 1 11.412 5.70963 11.4155 11.412 5.70963 11.4155 -0.00368624 -0.0135979 0.0013816 -0.00632618 0.0146077 -0.00374536
430 1 12.8519 7.13904 12.8473 12.8519 7.13904 12.8473 -0.00521624 0.00163289 0.000944155 -0.011105 -0.0043441 -0.00566545
431 1 14.2816 5.70584 11.4259 14.2816 5.70584 11.4259 -0.013644 0.0119612 -0.011034 -0.0112137 0.00435768 -0.0126961
432 1 15.6969 7.14659 12.8455 15.6969 7.14659 12.8455 -0.00410802 0.00095097 -0.00284736 -0.0155794 0.00830747 -0.0169682
433 1 17.1292 5.71274 11.4223 17.1292 5.71274 11.4223 -0.0024042 0.00120667 -0.00154731 -0.00166572 -0.00598309 -0.00272428
434 1 18.5554 7.1413 12.8476 18.5554 7.1413 12.8476 -0.000326821 -0.000606053 -0.000755292 -0.00290534 -0.00489377 -0.00382102
435 1 -0.00402833 8.56829 11.4212 -0.00402833 8.56829 11.4212 -0.000249861 0.000131001 -0.000124834 -0.00290562 -0.00530493 -0.00280537
436 1 1.42496 9.99432 12.8498 1.42496 9.99432 12.8498 0.000273049 -0.000208814 -0.000895119 -0.00484393 -0.00335407 -0.00298717
437 1 2.85167 8.56472 11.4212 2.85167 8.56472 11.4212 0.000429135 -0.000978824 -0.00023291 -0.00494148 -0.004254 -0.00616452
438 1 4.28066 9.98903 12.8551 4.28066 9.98903 12.8551 0.00286541 -0.00107982 -0.00449637 -0.0146592 -0.00934517 -0.00246532
439 1 5.69955 8.55861 11.4205 5.69955 8.55861 11.4205 0.00604202 -0.00208244 -0.00270196 0.0224766 0.0160934 -0.0205922
440 1 7.10868 9.96191 12.8939 7.10868 9.96191 12.8939 0.0180065 0.00293364 -0.0200872 -0.0132228 -0.0154112 0.0297918
441 1 8.59258 8.61437 11.4045 8.59258 8.61437 11.4045 0.0238967 -0.00688657 -0.00371821 0.0113306 -0.0464171 0.0420465
442 1 9.88466 9.89472 13.1853 9.88466 9.89472 13.1853 -0.136533 -0.145552 0.158043 0.0403605 0.0190742 -0.0705563
443 1 11.3998 8.47237 11.401 11.3998 8.47237 11.401 -0.0273004 -0.0640483 0.0178469 -0.0142559 0.184054 8.68164e-05
444 1 12.7697 10.0267 12.8119 12.7697 10.0267 12.8119 0.0174942 0.0097701 0.00571518 0.17412 -0.0209366 0.12959
445 1 14.2566 8.59298 11.4188 14.2566 8.59298 11.4188 -0.014177 0.000813312 -0.00265189 -0.066387 0.0353675 -0.0148758
446 1 15.6989 9.99585 12.8516 15.6989 9.99585 12.8516 0.00152466 -0.0046737 -0.00141734 0.00865765 -0.0140721 0.00147032
447 1 17.1258 8.57106 11.4203 17.1258 8.57106 11.4203 0.000529806 -0.00096103 7.80752e-05 -0.000592603 -0.00582949 -0.00545424
448 1 18.5541 9.9975 12.8492 18.5541 9.9975 12.8492 -0.00141244 0.000475225 -0.00100025 -0.00345583 -0.00322394 -0.00417549
449 1 -0.00352673 11.4236 11.422 -0.00352673 11.4236 11.422 -0.000506758 0.000120021 -0.000558816 -0.00346631 -0.00274146 -0.00288066
450 1 1.42621 12.8495 12.8507 1.42621 12.8495 12.8507 0.000630345 -0.00136216 -0.00104148 -0.00450724 -0.00247213 -0.00246839
451 1 2.85398 11.4192 11.4222 2.85398 11.4192 11.4222 0.00206795 -0.00151973 -0.000830805 -0.005205 -0.00670199 -0.00733086
452 1 4.28323 12.8487 12.8523 4.28323 12.8487 12.8523 0.00537651 -0.00704541 -0.00569468 -0.0194954 -2.97417e-05 -0.00341716
453 1 5.69238 11.4098 11.42 5.69238 11.4098 11.42 0.028156 -0.00823437 -0.0055739 -0.0174598 -0.00869988 -0.00203633
454 1 7.10697 12.8748 12.8784 7.10697 12.8748 12.8784 0.0509742 -0.0491305 -0.0533537 -0.00917679 -0.00312263 0.000632832
455 1 8.36696 11.4195 11.4326 8.36696 11.4195 11.4326 0.174071 -0.0976471 -0.0898391 -0.0156257 0.051649 0.134608
456 1 10.0124 12.8021 12.833 10.0124 12.8021 12.833 0.0175683 0.00175679 0.00233986 0.0298735 -0.0231599 -0.0569648
457 1 12.1146 12.0879 11.4486 12.1146 12.0879 11.4486 0.143721 0.233838 -0.0892576 -0.0491522 -0.245445 0.0448785
458 1 13.0177 13.0284 13.2042 13.0177 13.0284 13.2042 -0.0136653 -0.0234659 0.123151 -0.0261682 -0.034394 -0.0674872
459 1 14.3535 11.4463 11.4192 14.3535 11.4463 11.4192 0.0326958 0.0105194 -0.00131089 0.0527475 0.00874402 -0.0107312
460 1 15.7105 12.8733 12.8794 15.7105 12.8733 12.8794 0.00697515 0.00784359 0.0166555 0.00555498 0.00153326 0.00691408
461 1 17.1304 11.4311 11.422 17.1304 11.4311 11.422 0.000463551 0.00440673 -0.00145332 0.00237852 -0.000525821 -0.00692734
462 1 18.5564 12.8537 12.854 18.5564 12.8537 12.854 -0.000438222 0.000287502 0.00043914 -0.00349797 -0.00118292 -0.00171152
463 1 -0.00160987 14.2768 11.4228 -0.00160987 14.2768 11.4228 -0.000116632 -0.000692776 -0.000349872 -0.00375676 -0.000870734 -0.000604887
464 1 1.42674 15.7049 12.8502 1.42674 15.7049 12.8502 0.00111954 -0.00179056 -0.000754587 -0.00309445 -0.0017794 0.00081979
465 1 2.85401 14.2757 11.4228 2.85401 14.2757 11.4228 0.00217793 -0.00229953 4.35223e-05 -0.00557802 -0.00219565 -0.00395648
466 1 4.27895 15.7075 12.8509 4.27895 15.7075 12.8509 0.00660375 -0.00669862 -0.00251499 -0.00020374 -0.00641532 -0.00684464
467 1 5.70131 14.2821 11.4233 5.70131 14.2821 11.4233 0.014661 -0.0133616 0.00283656 0.00143625 -0.0174924 -0.0212787
468 1 7.14148 15.6986 12.8496 7.14148 15.6986 12.8496 0.00933377 -0.00801137 -0.00887462 -0.00154185 -0.0150076 -0.011219
469 1 8.58399 14.2443 11.429 8.58399 14.2443 11.429 0.0264158 -0.0199855 -0.0188601 -0.010893 0.0149367 -0.0130308
470 1 9.99339 15.6984 12.8531 9.99339 15.6984 12.8531 -0.00849781 0.0053365 0.00206795 -0.00444479 -0.00246458 -0.0103721
471 1 11.4664 14.3606 11.4333 11.4664 14.3606 11.4333 -0.0192556 0.0444942 -0.0189574 -0.00819601 -0.0433221 -0.0224789
472 1 12.8779 15.7182 12.885 12.8779 15.7182 12.885 0.00163692 0.000808532 0.0122722 -0.00982411 -0.000594188 -0.00468351
473 1 14.251 14.2481 11.4265 14.251 14.2481 11.4265 -0.0402246 -0.0348745 -0.00645048 0.0077103 0.00868561 -0.0235759
474 1 15.7224 15.7237 12.8446 15.7224 15.7237 12.8446 -0.00798729 -0.00807864 -0.00886135 -0.0104644 -0.00789799 -0.00404082
475 1 17.1287 14.2786 11.4237 17.1287 14.2786 11.4237 -0.00112986 -0.0016235 -0.00194659 -0.000328091 -0.00118356 -0.00291173
476 1 18.5608 15.7074 12.851 18.5608 15.7074 12.851 -0.00157388 -0.00132826 -0.00119827 -0.00470662 -0.00172544 0.000430537
477 1 0.00165587 17.1333 11.4228 0.00165587 17.1333 11.4228 0.000588424 -0.00080203 0.000107332 -0.00324475 -0.00125735 0.00239423
478 1 1.42835 18.5603 12.8501 1.42835 18.5603 12.8501 0.000865558 -0.00113568 -0.000601073 -0.00302214 -0.00214036 0.00371209
479 1 2.85454 17.1321 11.4223 2.85454 17.1321 11.4223 0.00196856 -0.00255806 0.000445727 -0.0039936 -0.0017261 0.00128992
480 1 4.28413 18.5584 12.8494 4.28413 18.5584 12.8494 0.000832422 -0.00180187 -0.000814384 -0.00316254 -0.00273469 0.00113055
481 1 5.71233 17.1291 11.4226 5.71233 17.1291 11.4226 0.00168173 -0.00234736 -0.000480425 -0.00376982 -0.003895 -0.00152308
482 1 7.14029 18.5572 12.848 7.14029 18.5572 12.848 0.000419479 -0.00137413 -0.00160323 -0.0043399 -0.00248759 -0.00309514
483 1 8.57017 17.1253 11.4237 8.57017 17.1253 11.4237 0.000442623 0.000197166 -0.00326903 -0.00756148 -0.00180663 -0.00636924
484 1 9.99662 18.5554 12.8492 9.99662 18.5554 12.8492 3.5161e-05 -0.00193903 -0.000728806 -0.00456024 -0.00312331 -0.00574171
485 1 11.4329 17.1321 11.4247 11.4329 17.1321 11.4247 0.00148735 0.00133485 -0.00389984 -0.00388801 -0.010009 -0.00818659
486 1 12.8532 18.5589 12.8543 12.8532 18.5589 12.8543 -0.000242789 -0.00209021 -7.54446e-06 -0.00583947 -0.0023853 -0.00326393
487 1 14.2796 17.1306 11.4235 14.2796 17.1306 11.4235 -0.00299109 -0.00177623 -0.00185381 -0.00534346 -0.00188744 -0.00260242
488 1 15.7063 18.5629 12.8508 15.7063 18.5629 12.8508 -0.0011804 -0.0025506 -0.00125284 -0.00534507 -0.00402724 -0.000286702
489 1 17.1441 17.145 11.4225 17.1441 17.145 11.4225 0.00185981 0.00161616 0.00103539 -0.00313418 -0.0017389 0.0013387
490 1 18.5653 18.5663 12.8506 18.5653 18.5663 12.8506 0.000892641 0.00048266 -0.000368659 -0.00346258 -0.00215335 0.00343367
491 1 0.00203243 0.00264394 14.278 0.00203243 0.00264394 14.278 0.000422164 0.00020341 -0.0013246 -0.00330152 -0.00258638 0.00413402
492 1 1.4273 1.42747 15.7044 1.4273 1.42747 15.7044 -1.29782e-05 -8.35707e-05 -0.00176419 -0.00222151 -0.00246441 0.00266437
493 1 2.85606 -0.000592806 14.2769 2.85606 -0.000592806 14.2769 0.000114672 -0.00100534 -0.00127675 -0.00234961 -0.00278131 0.00331178
494 1 4.28359 1.42656 15.7029 4.28359 1.42656 15.7029 -0.00110136 -0.00118274 -0.00121445 -0.00199483 -0.00266659 0.00137866
495 1 5.71227 -0.000751035 14.2752 5.71227 -0.000751035 14.2752 -0.000337178 -0.00122541 -0.00117954 -0.00258997 -0.00225945 -0.000388891
496 1 7.13867 1.4276 15.7026 7.13867 1.4276 15.7026 -0.00180973 -0.00142549 0.000276677 -0.00258592 -0.000995634 -0.00145222
497 1 8.56702 -0.000204419 14.2746 8.56702 -0.000204419 14.2746 -0.000678747 -0.000951605 -0.00016303 -0.00377689 -0.00183536 -0.00353003
498 1 9.99263 1.42908 15.7029 9.99263 1.42908 15.7029 -0.000363235 -0.00100176 0.000308112 -0.00360506 -0.000673896 -0.00352525
499 1 11.4207 0.000599 14.2766 11.4207 0.000599 14.2766 3.28783e-05 -0.000910996 1.01668e-05 -0.00489834 -0.00188351 -0.00356984
500 1 12.8467 1.43016 15.7037 12.8467 1.43016 15.7037 0.000805218 -0.00097786 -5.98489e-05 -0.00407961 -0.00200058 -0.00317078
501 1 14.2772 0.00291984 14.2797 14.2772 0.00291984 14.2797 0.000377296 -0.000719163 -0.000400973 -0.00506811 -0.0027372 -0.00197001
502 1 15.7036 1.43047 15.7049 15.7036 1.43047 15.7049 0.00063262 -0.000325665 -0.000978989 -0.0052385 -0.00242345 -0.00132578
503 1 17.1329 0.00361169 14.2781 17.1329 0.00361169 14.2781 -0.000357024 -0.000423205 -0.00146502 -0.00525402 -0.00294163 0.000951541
504 1 18.5598 1.42965 15.7044 18.5598 1.42965 15.7044 -0.000390171 0.000341975 -0.00191339 -0.00516564 -0.00245813 0.00121508
505 1 -0.00237072 2.85541 14.277 -0.00237072 2.85541 14.277 -0.000306828 0.000423857 -0.00148383 -0.00330838 -0.00293167 0.00280324
506 1 1.42409 4.28179 15.7033 1.42409 4.28179 15.7033 -0.000229598 -0.000203657 -0.00119363 -0.00270281 -0.00121225 0.000521503
507 1 2.85094 2.85114 14.2786 2.85094 2.85114 14.2786 0.000208457 0.000400219 -0.00251837 -0.00278256 -0.00176854 9.0272e-05
508 1 4.27808 4.27842 15.7042 4.27808 4.27842 15.7042 -0.003529 -0.00325031 -0.000166332 -0.00755723 -0.00547771 0.000716494
509 1 5.71042 2.85358 14.2757 5.71042 2.85358 14.2757 -0.00166488 -0.00124297 -0.00106881 -0.00621001 -0.0033694 -0.000604954
510 1 7.13393 4.28024 15.7061 7.13393 4.28024 15.7061 -0.00638633 -0.00498738 0.00488729 -0.00888073 -0.000788953 0.000918589
511 1 8.56543 2.85648 14.2753 8.56543 2.85648 14.2753 -0.00259976 -0.00236938 0.0016 -0.00562229 -0.00253273 -0.00292475
512 1 9.99171 4.28353 15.7045 9.99171 4.28353 15.7045 -0.00100691 -0.00443416 0.0042304 -0.00339509 -0.00245622 -0.000915444
513 1 11.4185 2.85841 14.2741 11.4185 2.85841 14.2741 0.000651283 -0.00139034 0.000796274 -0.00196827 -0.00290735 -0.00314808
514 1 12.8469 4.28484 15.7023 12.8469 4.28484 15.7023 0.00290416 -0.003482 0.00251368 0.000186832 -0.00336897 -0.00206194
515 1 14.274 2.85712 14.2756 14.274 2.85712 14.2756 0.000445397 -7.58402e-05 -0.00115096 -0.0031406 -0.00187941 -0.0043359
516 1 15.7029 4.28421 15.7028 15.7029 4.28421 15.7028 0.00077256 -0.00078336 -0.000798408 -0.00297173 -0.00263919 -0.0036742
517 1 17.1309 2.85567 14.2771 17.1309 2.85567 14.2771 -0.00164799 0.00148694 -0.00272511 -0.00522407 -0.00136474 -0.00181643
518 1 18.5566 4.28463 15.7024 18.5566 4.28463 15.7024 -0.000379786 5.46819e-05 -0.00120549 -0.00509551 -0.000926663 -0.001359
519 1 -0.00380505 5.71166 14.2755 -0.00380505 5.71166 14.2755 -1.39606e-05 -0.000171725 -0.000896832 -0.00329304 -0.00271404 -0.000473446
520 1 1.42324 7.13685 15.7047 1.42324 7.13685 15.7047 0.00078492 0.000195966 -0.0013048 -0.0027004 -0.00158512 -0.000979351
521 1 2.8491 5.70808 14.2774 2.8491 5.70808 14.2774 0.000587038 -2.50285e-06 -0.00139341 -0.00222816 -0.00109188 -0.00310535
522 1 4.27129 7.12837 15.7131 4.27129 7.12837 15.7131 0.0024961 0.000942481 -0.00244712 -0.00100958 -0.00364441 -0.000902736
523 1 5.70178 5.70404 14.2755 5.70178 5.70404 14.2755 -0.00677937 -0.00727226 -0.00100503 -0.0187299 -0.0154738 -0.00493199
524 1 7.10504 7.10663 15.7369 7.10504 7.10663 15.7369 -0.0267646 -0.0251396 0.0260861 -0.0319441 -0.0286301 0.0203944
525 1 8.55731 5.7096 14.2818 8.55731 5.7096 14.2818 -0.0130809 -0.0148088 0.0137116 -0.0158127 -0.0280404 0.00232368
526 1 9.9917 7.11656 15.7318 9.9917 7.11656 15.7318 -0.00390364 -0.0271282 0.0295592 -0.00758346 -0.00476884 -0.00721951
527 1 11.4159 5.7152 14.2738 11.4159 5.7152 14.2738 0.00238464 -0.00827711 0.00907435 0.0018804 -0.0170903 0.00262213
528 1 12.861 7.12505 15.7186 12.861 7.12505 15.7186 0.0101349 -0.0146956 0.0151268 0.00622918 -0.0166997 0.00819417
529 1 14.2766 5.71228 14.2753 14.2766 5.71228 14.2753 0.000736457 -0.00130405 -0.000926671 -0.00131232 -0.00626496 -0.00873922
530 1 15.6989 7.14393 15.7014 15.6989 7.14393 15.7014 2.71344e-05 -0.000915813 0.000769607 0.00252007 -0.00993213 0.00170906
531 1 17.1276 5.71464 14.2747 17.1276 5.71464 14.2747 -0.00142787 0.000308264 -0.00157931 -0.00686285 0.000301293 -0.00716776
532 1 18.5573 7.13878 15.7028 18.5573 7.13878 15.7028 0.000511102 -0.000935391 -0.000524226 -0.00160848 -0.00361686 -0.000816009
533 1 -0.0033218 8.56734 14.276 -0.0033218 8.56734 14.276 8.97037e-05 -8.82166e-05 -0.00103026 -0.00307743 -0.00264978 -0.0022583
534 1 1.42452 9.9937 15.706 1.42452 9.9937 15.706 0.00129701 -0.000150429 -0.00158252 -0.00268797 -0.00107857 -0.00238686
535 1 2.84972 8.56395 14.2799 2.84972 8.56395 14.2799 0.00228305 0.00015463 -0.00172843 -0.00591542 -0.00529369 -0.00210022
536 1 4.27242 9.99095 15.7143 4.27242 9.99095 15.7143 0.00516317 0.00221478 -0.00530515 -0.00296997 -0.000715871 -0.0032455
537 1 5.69128 8.54874 14.2968 5.69128 8.54874 14.2968 0.0060675 0.00247615 -0.00562592 -0.0292587 -0.0147448 0.00114569
538 1 7.1056 9.99165 15.7403 7.1056 9.99165 15.7403 -0.0206181 -0.000895897 0.0229413 0.00831423 0.00466567 -0.0244181
539 1 8.48916 8.49537 14.3536 8.48916 8.49537 14.3536 -0.0689988 -0.0700624 0.0686133 -0.0649432 -0.0770171 0.051952
540 1 9.98844 9.9968 15.7442 9.98844 9.9968 15.7442 -0.0106107 -0.0142414 0.0218696 -0.0121794 -0.019058 -0.0105404
541 1 11.4472 8.52429 14.3078 11.4472 8.52429 14.3078 0.01467 -0.0461276 0.0409743 0.00413059 -0.0351348 0.0467913
542 1 12.8434 10.0012 15.7098 12.8434 10.0012 15.7098 -0.00835909 -0.000832131 3.3866e-05 0.0092421 -0.0130043 0.0178692
543 1 14.2622 8.58142 14.2684 14.2622 8.58142 14.2684 -0.000670638 -0.00347585 0.00235524 0.0206838 -0.0314943 0.0243346
544 1 15.7235 9.97967 15.7272 15.7235 9.97967 15.7272 0.00510715 -0.00680433 0.00546558 -0.00688853 -0.00655669 -0.00835855
545 1 17.1289 8.56729 14.2755 17.1289 8.56729 14.2755 0.000787355 -0.00255585 -0.00029142 0.00514569 -0.00924678 -0.000337278
546 1 18.56 9.99293 15.7064 18.56 9.99293 15.7064 0.000717247 -0.00136898 4.63414e-05 -0.00318444 -0.00216713 -0.00190444
547 1 -0.00238342 11.4229 14.2781 -0.00238342 11.4229 14.2781 0.000343426 -0.000536687 -0.000663405 -0.00300234 -0.00189018 -0.00198356
548 1 1.42584 12.8506 15.7071 1.42584 12.8506 15.7071 0.00161503 -0.000984391 -0.00207207 -0.00237994 -0.00101362 -0.00216243
549 1 2.85195 11.4217 14.2794 2.85195 11.4217 14.2794 0.0033112 -0.00129504 -0.00257808 -0.00548302 -0.0029685 -0.00269852
550 1 4.27415 12.8536 15.7131 4.27415 12.8536 15.7131 0.0074698 -0.00313603 -0.00857985 -0.00421686 -0.000157697 -0.00358596
551 1 5.69341 11.4215 14.2929 5.69341 11.4215 14.2929 0.0204979 -0.00298907 -0.0172219 -0.0177974 -0.00144538 0.000536269
552 1 7.11263 12.8695 15.7306 7.11263 12.8695 15.7306 -0.00545037 0.00238174 0.00541667 0.00164321 -0.0116277 -0.0193195
553 1 8.50038 11.4567 14.323 8.50038 11.4567 14.323 -0.0198722 0.00499029 0.0200555 0.030547 -0.00565955 -0.0183235
554 1 9.99451 12.8504 15.7149 9.99451 12.8504 15.7149 0.000187173 -0.00955069 -0.000856534 -0.00748263 -0.00770599 -0.00434085
555 1 11.4406 11.4517 14.2476 11.4406 11.4517 14.2476 -0.0469838 -0.0495249 -0.0584925 0.00316273 -0.0300285 0.0492115
556 1 12.8663 12.8696 15.7581 12.8663 12.8696 15.7581 -0.0155617 -0.0152824 0.00916494 -0.0118469 -0.0116217 -0.0119895
557 1 14.3231 11.3897 14.3202 14.3231 11.3897 14.3202 0.0168669 -0.0172848 0.0144396 0.0323251 0.0176226 0.0235853
558 1 15.7393 12.851 15.7473 15.7393 12.851 15.7473 0.00205508 -0.00129427 0.00556806 -0.00707928 0.00537023 -0.00408505
559 1 17.1308 11.424 14.2827 17.1308 11.424 14.2827 0.0020598 -0.0019759 0.00175953 0.00707241 -0.00242175 0.000612318
560 1 18.5627 12.8513 15.7111 18.5627 12.8513 15.7111 0.000539007 -0.000656639 0.000348944 -0.00323825 -0.000574558 -0.0007608
561 1 9.12022e-05 14.2797 14.2804 9.12022e-05 14.2797 14.2804 0.000830903 -0.000492957 -0.000549259 -0.00337824 -0.00134345 -0.000223061
562 1 1.42745 15.7078 15.707 1.42745 15.7078 15.707 0.00198003 -0.00174772 -0.00227542 -0.0015202 -0.00245295 0.000207727
563 1 2.8527 14.2786 14.2791 2.8527 14.2786 14.2791 0.00364216 -0.00356841 -0.00373377 -0.00267632 -0.00113864 -0.00207344
564 1 4.27619 15.7122 15.7112 4.27619 15.7122 15.7112 0.00780964 -0.00831684 -0.00949112 0.00209542 -0.00540058 -0.00505263
565 1 5.69556 14.2913 14.2913 5.69556 14.2913 14.2913 0.0200263 -0.0198442 -0.0221058 -0.00225017 -0.00559002 -0.0103443
566 1 7.13854 15.7068 15.7095 7.13854 15.7068 15.7095 -0.000634212 -0.00493144 -0.00425667 0.000350709 -0.00776374 -0.00865408
567 1 8.57143 14.2736 14.2824 8.57143 14.2736 14.2824 -0.00390422 -0.0074354 -0.00544051 0.00559265 -0.0114603 -0.0158535
568 1 9.97648 15.7288 15.7317 9.97648 15.7288 15.7317 -0.00750786 0.00219074 0.00281777 -0.00634306 -0.00493886 -0.00755254
569 1 11.3896 14.335 14.3313 11.3896 14.335 14.3313 -0.0167897 0.0126475 0.0080691 -0.010852 -0.0106873 -0.0161547
570 1 12.8514 15.7447 15.751 12.8514 15.7447 15.751 -0.00212772 0.000609389 0.00427398 -0.0103343 -0.0146593 -0.014975
571 1 14.3828 14.3858 14.3948 14.3828 14.3858 14.3948 0.0185088 0.0181654 0.0167901 -0.0254062 -0.022858 -0.0287216
572 1 15.752 15.754 15.7564 15.752 15.754 15.7564 0.00593316 0.00570138 0.00633137 -0.0125599 -0.00750962 -0.00813089
573 1 17.1425 14.2913 14.2936 17.1425 14.2913 14.2936 0.00481495 0.00367897 0.00450871 -0.00280236 0.00109498 0.00138675
574 1 18.5658 15.7139 15.7133 18.5658 15.7139 15.7133 0.00132492 0.00126315 0.000789134 -0.00298379 -0.000837337 0.00132635
575 1 0.00192582 17.135 14.2784 0.00192582 17.135 14.2784 0.000465257 -0.00122812 -0.00138223 -0.00339662 -0.00243962 0.00215578
576 1 1.42901 18.5622 15.705 1.42901 18.5622 15.705 0.000956862 -0.00158357 -0.00207858 -0.00149033 -0.00390417 0.00220026
577 1 2.85398 17.1342 14.2778 2.85398 17.1342 14.2778 0.00285487 -0.00351084 -0.00238919 -0.00033441 -0.00393145 0.000102962
578 1 4.28409 18.5603 15.7041 4.28409 18.5603 15.7041 0.00100951 -0.0024605 -0.00259853 0.00107056 -0.00468045 -0.000769976
579 1 5.71165 17.1314 14.2773 5.71165 17.1314 14.2773 0.00350348 -0.00441281 -0.00435494 0.000766317 -0.00717228 -0.00576153
580 1 7.13801 18.561 15.704 7.13801 18.561 15.704 -0.00183744 -0.000303714 -0.000294985 -0.00215972 -0.0030661 -0.00299686
581 1 8.56473 17.1323 14.2774 8.56473 17.1323 14.2774 -0.00347509 0.00143908 0.000823972 -0.00616445 -0.00534421 -0.00743946
582 1 9.99117 18.5631 15.7068 9.99117 18.5631 15.7068 -0.00130842 -0.00016989 0.000376865 -0.00568892 -0.00297902 -0.00440819
583 1 11.4221 17.1345 14.2844 11.4221 17.1345 14.2844 -0.00173595 0.00164266 0.0015817 -0.00854156 -0.00305609 -0.00563004
584 1 12.8488 18.5659 15.7113 12.8488 18.5659 15.7113 4.00548e-05 -0.000481049 0.000584695 -0.00708141 -0.00384007 -0.00393846
585 1 14.2919 17.1473 14.296 14.2919 17.1473 14.296 0.00197895 0.00238361 0.00264989 -0.00739112 -0.00476996 -0.00267223
586 1 15.7121 18.5691 15.7137 15.7121 18.5691 15.7137 0.00148004 -0.000194547 0.000340693 -0.00658866 -0.00283599 -0.000596562
587 1 17.1453 17.1472 14.2804 17.1453 17.1472 14.2804 -0.000479391 -0.0010162 -0.00337995 -0.00772251 -0.00487636 -0.000924751
588 1 18.5666 18.5685 15.7079 18.5666 18.5685 15.7079 0.000494499 -0.000314385 -0.00174333 -0.00579263 -0.00415362 0.00123043
589 1 0.00337319 0.00414313 17.1328 0.00337319 0.00414313 17.1328 0.000411773 -0.000147865 -0.00177722 -0.00372894 -0.00405872 0.000474596
590 1 1.42883 1.42777 18.5572 1.42883 1.42777 18.5572 -0.000700154 -0.000447735 -0.000775401 -0.00232555 -0.00394693 -0.00166735
591 1 2.857 0.000715955 17.1308 2.857 0.000715955 17.1308 -0.000286706 -0.00130862 -0.00179415 1.67705e-06 -0.00427202 0.000495441
592 1 4.28274 1.42607 18.5578 4.28274 1.42607 18.5578 -0.00228841 -0.00150412 6.16401e-05 -0.000143031 -0.00335926 -0.00121028
593 1 5.71099 0.000503689 17.1308 5.71099 0.000503689 17.1308 -0.00167147 -0.000916097 -0.000474304 0.00025638 -0.00277298 -0.000822531
594 1 7.13695 1.42747 18.5591 7.13695 1.42747 18.5591 -0.0017375 -0.00147942 0.000551668 0.000123149 -0.00189219 -0.00196191
595 1 8.56417 0.00242334 17.1323 8.56417 0.00242334 17.1323 -0.00115229 -0.000471108 -2.83992e-05 -0.0019797 -0.00190506 -0.00282159
596 1 9.99163 1.42917 18.5597 9.99163 1.42917 18.5597 -0.000283779 -0.00115725 0.000435677 -0.00223301 -0.00141897 -0.00337568
597 1 11.4188 0.00404997 17.134 11.4188 0.00404997 17.134 -6.91247e-05 -0.000355332 -1.85446e-05 -0.00502951 -0.00248694 -0.00389319
598 1 12.8473 1.43019 18.5599 12.8473 1.43019 18.5599 0.000951267 -0.000965174 0.000289798 -0.0050966 -0.00255054 -0.00367931
599 1 14.2765 0.00563575 17.1352 14.2765 0.00563575 17.1352 0.000879178 -0.000274073 -0.000183891 -0.00695839 -0.00354136 -0.00269965
600 1 15.7042 1.43089 18.5597 15.7042 1.43089 18.5597 0.00146028 -0.000501326 -5.11587e-05 -0.00600415 -0.00385957 -0.00319747
601 1 17.1355 0.00676707 17.1356 17.1355 0.00676707 17.1356 0.00114796 0.00013578 -0.000630141 -0.00619505 -0.00383246 -0.000465505
602 1 18.5614 1.43031 18.5585 18.5614 1.43031 18.5585 0.000746952 0.000300828 -0.00055766 -0.00481773 -0.00364335 -0.00238983
603 1 -0.00127314 2.85577 17.1297 -0.00127314 2.85577 17.1297 -0.000253388 -9.26333e-05 -0.00110541 -0.00388249 -0.00177613 -0.000190094
604 1 1.42465 4.2794 18.5576 1.42465 4.2794 18.5576 -0.000680646 -0.00025979 -0.000472121 -0.00254335 -0.000987364 -0.00224126
605 1 2.85361 2.85301 17.1303 2.85361 2.85301 17.1303 -0.00185191 -0.00151863 -0.00052827 -0.00289173 -0.00299375 0.00102157
606 1 4.27631 4.27518 18.5631 4.27631 4.27518 18.5631 -0.00573864 -0.00474912 0.00393204 -0.00618962 -0.00525282 0.00317867
607 1 5.70875 2.85274 17.1317 5.70875 2.85274 17.1317 -0.00351525 -0.0031322 0.00155012 -0.0025288 -0.00215461 0.000317624
608 1 7.13467 4.27716 18.5639 7.13467 4.27716 18.5639 -0.00454658 -0.00642412 0.00536551 -0.00308198 -0.00427517 0.00196109
609 1 8.56463 2.85491 17.1317 8.56463 2.85491 17.1317 -0.00168024 -0.00279252 0.00174376 -0.00275572 -0.000572658 -0.00248753
610 1 9.99287 4.27996 18.5627 9.99287 4.27996 18.5627 0.000142559 -0.00560593 0.0046082 -0.00131503 -0.00369273 0.000578138
611 1 11.4199 2.85634 17.1313 11.4199 2.85634 17.1313 0.000849569 -0.00232097 0.00127246 -0.00283868 -0.00100571 -0.00342527
612 1 12.8495 4.28084 18.5616 12.8495 4.28084 18.5616 0.00318297 -0.00445773 0.00357835 -0.00202008 -0.00279316 -0.0018326
613 1 14.2751 2.85691 17.1308 14.2751 2.85691 17.1308 0.00192981 -0.00184676 0.000564665 -0.00370164 -0.00250409 -0.00258787
614 1 15.7053 4.28118 18.5597 15.7053 4.28118 18.5597 0.00259274 -0.00208636 0.00175638 -0.00265305 -0.00311239 -0.00209711
615 1 17.1312 2.85685 17.1305 17.1312 2.85685 17.1305 0.000705559 -0.000305299 -0.000732553 -0.00495635 -0.00226356 -0.00164138
616 1 18.5581 4.28249 18.5565 18.5581 4.28249 18.5565 0.000391452 -2.91489e-06 -8.7982e-05 -0.00401606 -0.00144116 -0.00279216
617 1 -0.00274057 5.70936 17.1302 -0.00274057 5.70936 17.1302 0.000305858 -0.000236336 -0.000763199 -0.00293613 -0.000959543 -0.000968365
618 1 1.4245 7.13478 18.5597 1.4245 7.13478 18.5597 4.73856e-05 -8.88896e-05 -0.000608345 -0.00246578 0.00111074 -0.00319292
619 1 2.84879 5.70487 17.1344 2.84879 5.70487 17.1344 -0.000475585 -3.78316e-05 -0.00117567 -0.00237767 -0.00019217 -0.000926122
620 1 4.2744 7.13225 18.5658 4.2744 7.13225 18.5658 -0.00550703 -0.00249101 0.00397437 -0.00455392 0.00140058 1.85919e-05
621 1 5.6956 5.69554 17.1454 5.6956 5.69554 17.1454 -0.0125462 -0.0113032 0.0106612 -0.0159322 -0.0127786 0.011112
622 1 7.13219 7.13288 18.5655 7.13219 7.13288 18.5655 -0.00586248 -0.00531595 0.00445811 -0.00361411 0.000474739 -0.00755859
623 1 8.56065 5.69992 17.1435 8.56065 5.69992 17.1435 -0.00636482 -0.0136733 0.013506 -0.00387031 -0.0110868 0.00623279
624 1 9.99198 7.13636 18.5639 9.99198 7.13636 18.5639 -0.00097475 -0.00572844 0.00529541 -0.00539088 -0.00182929 -0.00478939
625 1 11.424 5.70372 17.1395 11.424 5.70372 17.1395 0.00419533 -0.0105358 0.0101435 -0.00307873 -0.00663313 0.00164567
626 1 12.8492 7.13695 18.5626 12.8492 7.13695 18.5626 0.00242948 -0.00323232 0.00346116 -0.00221882 -0.00259267 -0.00247237
627 1 14.2807 5.70605 17.1367 14.2807 5.70605 17.1367 0.00537185 -0.00562947 0.00527575 0.00168056 -0.00642308 0.00123609
628 1 15.7029 7.13814 18.5603 15.7029 7.13814 18.5603 0.000727594 -0.000263244 0.001022 -0.00167853 -0.00127745 -0.00135816
629 1 17.1292 5.71208 17.1298 17.1292 5.71208 17.1298 0.000563803 -0.000495813 2.26517e-05 -0.00266721 -0.0024217 -0.001393
630 1 18.5612 7.1341 18.5608 18.5612 7.1341 18.5608 0.00118871 -0.00103429 0.000678046 -0.00374918 0.000562911 -0.00370061
631 1 -0.000974399 8.56427 17.1326 -0.000974399 8.56427 17.1326 0.000859955 -0.000490247 -0.000624799 -0.0029353 6.38987e-05 -0.00259559
632 1 1.42585 9.99259 18.5614 1.42585 9.99259 18.5614 0.000539148 -7.56669e-05 -0.0010199 -0.00222488 0.000731584 -0.00339422
633 1 2.84887 8.56283 17.1362 2.84887 8.56283 17.1362 0.00119907 0.000817007 -0.00213755 -0.00171753 0.000501367 -0.00317587
634 1 4.27544 9.99286 18.5665 4.27544 9.99286 18.5665 -0.00388112 0.000797002 0.0026043 -0.00316751 0.00275271 -0.00120778
635 1 5.69418 8.55848 17.1478 5.69418 8.55848 17.1478 -0.01116 -0.00330369 0.0103857 -0.00871693 0.00533643 0.00100228
636 1 7.13273 9.99259 18.5661 7.13273 9.99259 18.5661 -0.00462981 -0.000739473 0.004401 -0.0030967 -0.00101043 -0.00558327
637 1 8.55635 8.55925 17.1411 8.55635 8.55925 17.1411 -0.00999947 -0.0104615 0.0170089 -0.00717312 -0.00302617 -0.00722173
638 1 9.99212 9.99447 18.5627 9.99212 9.99447 18.5627 -0.00190772 -0.00252114 0.00307181 -0.00703877 -0.00424019 -0.00308733
639 1 11.4218 8.56205 17.1343 11.4218 8.56205 17.1343 0.000775605 -0.00885366 0.00925433 -0.00410413 -0.00874612 0.00678958
640 1 12.8471 9.99626 18.5608 12.8471 9.99626 18.5608 -0.00144593 -0.000475716 -0.000257934 -0.00506588 -0.00215228 -0.00247938
641 1 14.2742 8.56781 17.1345 14.2742 8.56781 17.1345 -0.00036756 -2.1285e-05 0.00194037 0.00252806 -0.00643228 0.00684748
642 1 15.7069 9.99147 18.5652 15.7069 9.99147 18.5652 0.00136535 -0.00134375 0.0012432 -0.00311218 -0.000421859 -0.00327831
643 1 17.1384 8.55876 17.1401 17.1384 8.55876 17.1401 0.00246955 -0.00267351 0.00208135 -0.00376286 -0.000858611 -0.00372795
644 1 18.5646 9.98986 18.5649 18.5646 9.98986 18.5649 0.00137146 -0.000948551 0.000636994 -0.00452263 0.00068005 -0.00411146
645 1 0.000855038 11.4213 17.1351 0.000855038 11.4213 17.1351 0.000976855 -0.000585707 -0.000816836 -0.00315451 -0.000507979 -0.00279516
646 1 1.42731 12.8511 18.5626 1.42731 12.8511 18.5626 0.000802317 -0.000366268 -0.00149468 -0.00187083 -0.00131667 -0.00254151
647 1 2.85016 11.4224 17.1369 2.85016 11.4224 17.1369 0.00197877 0.000308409 -0.00293497 -0.00159375 1.47609e-05 -0.00308558
648 1 4.27682 12.853 18.567 4.27682 12.853 18.567 -0.00256391 0.00157151 0.000953768 -0.000245831 -0.000968812 -0.00285991
649 1 5.69575 11.4263 17.1469 5.69575 11.4263 17.1469 -0.006335 0.00353395 0.00551047 -0.0010348 -0.000210531 -0.00616048
650 1 7.13349 12.8517 18.567 7.13349 12.8517 18.567 -0.00225054 0.0012155 0.00188459 -0.0018127 -0.00239073 -0.00369621
651 1 8.55551 11.4256 17.1384 8.55551 11.4256 17.1384 -0.0059639 -0.000783227 0.00707188 -0.00576136 -0.00350347 -0.00333952
652 1 9.99385 12.849 18.5629 9.99385 12.849 18.5629 -0.000283656 -0.00159586 -0.00053764 -0.00518733 -0.00444764 -0.00412608
653 1 11.4233 11.4274 17.1275 11.4233 11.4274 17.1275 -0.00531667 -0.00594361 -0.00391015 -0.0126999 -0.0120191 0.00216559
654 1 12.8518 12.8536 18.5673 12.8518 12.8536 18.5673 -0.00216221 -0.00228603 -0.00111346 -0.00937614 -0.00506738 -0.00818044
655 1 14.285 11.421 17.1393 14.285 11.421 17.1393 0.00174378 -0.00397353 0.00318086 0.000161504 -0.00173177 0.00647352
656 1 15.7108 12.8514 18.5687 15.7108 12.8514 18.5687 -1.95726e-06 -0.000422489 -0.00030018 -0.00695319 -2.86589e-05 -0.0040597
657 1 17.1454 11.4162 17.1477 17.1454 11.4162 17.1477 0.0022123 -0.00148145 0.00183156 -0.00616314 -0.000893687 -0.00512648
658 1 18.5674 12.8499 18.568 18.5674 12.8499 18.568 0.00147126 -0.000800337 0.000542401 -0.00565675 -0.00161256 -0.00361055
659 1 0.00274004 14.2804 17.1366 0.00274004 14.2804 17.1366 0.00117838 -0.000615356 -0.00109605 -0.00294814 -0.00205517 -0.000983896
660 1 1.42926 15.7089 18.5629 1.42926 15.7089 18.5629 0.0011276 -0.000954414 -0.00212191 -0.00118817 -0.00379831 -0.00163962
661 1 2.85162 14.281 17.1369 2.85162 14.281 17.1369 0.00283867 -0.00185319 -0.00430711 -0.000476544 -0.00192797 -0.00218454
662 1 4.27952 15.7102 18.5657 4.27952 15.7102 18.5657 -0.00106111 -3.32022e-06 -0.0011934 0.00223272 -0.00513373 -0.00333534
663 1 5.69967 14.2877 17.145 5.69967 14.2877 17.145 -0.00191642 0.000676944 0.00017895 0.00239996 -0.0063223 -0.00842064
664 1 7.13688 15.7066 18.5657 7.13688 15.7066 18.5657 -0.000838595 -0.000515701 -0.000696317 0.00012165 -0.00606048 -0.0038761
665 1 8.56371 14.2794 17.141 8.56371 14.2794 17.141 -0.000147469 -0.00191349 1.52185e-05 -0.00443401 -0.00699653 -0.0089517
666 1 9.99006 15.7094 18.5683 9.99006 15.7094 18.5683 -0.00161526 0.000791275 0.000356042 -0.00541445 -0.00512191 -0.00384567
667 1 11.4191 14.2886 17.1425 11.4191 14.2886 17.1425 -0.00409258 0.00142232 0.00243072 -0.0101449 -0.00356307 -0.00381393
668 1 12.8494 15.713 18.5701 12.8494 15.713 18.5701 3.32148e-06 -0.000352429 -0.000590472 -0.00710915 -0.00672242 -0.00564505
669 1 14.2935 14.2956 17.1556 14.2935 14.2956 17.1556 -0.00293018 -0.00314827 -0.00158003 -0.0133908 -0.00832654 -0.0154117
670 1 15.7142 15.7165 18.5714 15.7142 15.7165 18.5714 -0.000318789 -0.000986522 -0.00162364 -0.0107585 -0.0066418 -0.00512375
671 1 17.1519 14.2857 17.1548 17.1519 14.2857 17.1548 0.00282726 -0.000178781 0.00232923 -0.00718615 -0.00138681 -0.00355683
672 1 18.5703 15.7126 18.5703 18.5703 15.7126 18.5703 0.00177454 -8.59996e-05 0.000304791 -0.00596565 -0.00409423 -0.0022834
673 1 0.0047464 17.1386 17.1364 0.0047464 17.1386 17.1364 0.00145626 -0.000249517 -0.00108591 -0.00281981 -0.00343083 0.000771384
674 1 1.43083 18.5637 18.5608 1.43083 18.5637 18.5608 0.000808953 -0.000821179 -0.00204755 -0.000907537 -0.00511082 -0.00165412
675 1 2.85422 17.1368 17.135 2.85422 17.1368 17.135 0.00277672 -0.00335488 -0.00438345 0.00166673 -0.00515032 -0.00153346
676 1 4.28407 18.561 18.5602 4.28407 18.561 18.5602 -0.000797823 -0.00103208 -0.00158367 0.00196743 -0.00504769 -0.00201608
677 1 5.71038 17.1346 17.1348 5.71038 17.1346 17.1348 -0.00035404 -0.00229238 -0.00253461 0.00170964 -0.00565755 -0.00358807
678 1 7.13475 18.5639 18.564 7.13475 18.5639 18.564 -0.00192875 9.45881e-05 -0.000262752 0.000317875 -0.00398297 -0.00232273
679 1 8.55731 17.1427 17.1437 8.55731 17.1427 17.1437 -0.00345156 0.000563692 0.000584855 -0.00349648 -0.00450597 -0.00444895
680 1 9.9885 18.5671 18.5669 9.9885 18.5671 18.5669 -0.00112416 0.000422696 8.59973e-05 -0.00286298 -0.00473802 -0.00387171
681 1 11.4142 17.149 17.1498 11.4142 17.149 17.1498 -0.00179607 0.000964405 0.00104077 -0.00542361 -0.00642182 -0.0066187
682 1 12.8469 18.5696 18.5688 12.8469 18.5696 18.5688 -0.00011424 0.000659006 0.00038274 -0.00680772 -0.00554022 -0.00439037
683 1 14.2843 17.1553 17.156 14.2843 17.1553 17.156 3.36173e-05 0.00189075 0.00201196 -0.0103955 -0.00781061 -0.00703611
684 1 15.7095 18.5724 18.5703 15.7095 18.5724 18.5703 0.00112776 0.000930463 0.000421995 -0.00878223 -0.00614574 -0.0038771
685 1 17.1546 17.157 17.1559 17.1546 17.157 17.1559 0.00319802 0.00242263 0.00223538 -0.00908754 -0.00595537 -0.00276044
686 1 18.57 18.5717 18.5686 18.57 18.5717 18.5686 0.00198459 0.0010239 0.000169766 -0.00600572 -0.00563487 -0.00214845
687 1 10.4921 10.683 11.2164 10.4921 10.683 11.2164 0.328595 -0.0571837 0.384537 -0.123219 0.0413041 -0.0278179

167
src/USER-PAFI/fix_hp.cpp
View File

@ -28,7 +28,6 @@
#include "force.h" #include "force.h"
#include "update.h" #include "update.h"
#include "modify.h" #include "modify.h"
#include "compute.h"
#include "domain.h" #include "domain.h"
#include "region.h" #include "region.h"
#include "respa.h" #include "respa.h"
@ -95,18 +94,18 @@ FixHP::FixHP(LAMMPS *lmp, int narg, char **arg) :
sprintf(buffer,"Compute %s for fix hp does not exist",computename); sprintf(buffer,"Compute %s for fix hp does not exist",computename);
error->all(FLERR,buffer); error->all(FLERR,buffer);
} }
Compute *compute = modify->compute[icompute]; PathCompute = modify->compute[icompute];
if (compute->peratom_flag==0) { if (PathCompute->peratom_flag==0) {
sprintf(buffer,"Compute %s for fix hp does not calculate a local array",computename); sprintf(buffer,"Compute %s for fix hp does not calculate a local array",computename);
error->all(FLERR,buffer); error->all(FLERR,buffer);
} }
if (compute->size_peratom_cols < domain->dimension*3) { if (PathCompute->size_peratom_cols < domain->dimension*3) {
sprintf(buffer,"Compute %s for fix hp has %d < %d fields per atom",computename,compute->size_peratom_cols,domain->dimension*3); sprintf(buffer,"Compute %s for fix hp has %d < %d fields per atom",computename,PathCompute->size_peratom_cols,domain->dimension*3);
error->all(FLERR,buffer); error->all(FLERR,buffer);
} }
if (comm->me==0) { if (comm->me==0) {
if (screen) fprintf(screen,"fix hp compute name,style: %s,%s\n",computename,compute->style); if (screen) fprintf(screen,"fix hp compute name,style: %s,%s\n",computename,PathCompute->style);
if (logfile) fprintf(logfile,"fix hp compute name,style: %s,%s\n",computename,compute->style); if (logfile) fprintf(logfile,"fix hp compute name,style: %s,%s\n",computename,PathCompute->style);
} }
@ -219,7 +218,6 @@ void FixHP::init()
void FixHP::setup(int vflag) void FixHP::setup(int vflag)
{ {
minimization = false;
if (strstr(update->integrate_style,"verlet")) if (strstr(update->integrate_style,"verlet"))
post_force(vflag); post_force(vflag);
else else
@ -232,10 +230,9 @@ void FixHP::setup(int vflag)
void FixHP::min_setup(int vflag) void FixHP::min_setup(int vflag)
{ {
minimization = true;
if( strcmp(update->minimize_style,"fire")!=0 && strcmp(update->minimize_style,"quickmin")!=0 ) if( strcmp(update->minimize_style,"fire")!=0 && strcmp(update->minimize_style,"quickmin")!=0 )
error->all(FLERR,"fix hp requires damped dynamics minimizer (fire or quickmin)"); error->all(FLERR,"fix hp requires damped dynamics minimizer");
post_force(vflag); min_post_force(vflag);
} }
@ -263,8 +260,8 @@ void FixHP::post_force(int vflag)
memory->create(h,maxatom,3,"fixhp:h"); memory->create(h,maxatom,3,"fixhp:h");
} }
lmp->modify->compute[icompute]->compute_peratom(); PathCompute->compute_peratom();
double **path = lmp->modify->compute[icompute]->array_atom; double **path = PathCompute->array_atom;
double xum=0.; double xum=0.;
@ -289,11 +286,9 @@ void FixHP::post_force(int vflag)
if (mask[i] & groupbit) { if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue; if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
if(!minimization) {
h[i][0] = random->uniform() - 0.5; h[i][0] = random->uniform() - 0.5;
h[i][1] = random->uniform() - 0.5; h[i][1] = random->uniform() - 0.5;
h[i][2] = random->uniform() - 0.5; h[i][2] = random->uniform() - 0.5;
}
proj[0] += f[i][0] * path[i][3]; // f.n proj[0] += f[i][0] * path[i][3]; // f.n
proj[0] += f[i][1] * path[i][4]; // f.n proj[0] += f[i][1] * path[i][4]; // f.n
@ -370,20 +365,17 @@ void FixHP::post_force(int vflag)
v[i][0] -= proj_all[1] * path[i][3] + c_v_all[3]/c_v_all[9]; v[i][0] -= proj_all[1] * path[i][3] + c_v_all[3]/c_v_all[9];
v[i][1] -= proj_all[1] * path[i][4] + c_v_all[4]/c_v_all[9]; v[i][1] -= proj_all[1] * path[i][4] + c_v_all[4]/c_v_all[9];
v[i][2] -= proj_all[1] * path[i][5] + c_v_all[5]/c_v_all[9]; v[i][2] -= proj_all[1] * path[i][5] + c_v_all[5]/c_v_all[9];
if(!minimization) {
h[i][0] -= proj_all[2] * path[i][3] + c_v_all[6]/c_v_all[9]; h[i][0] -= proj_all[2] * path[i][3] + c_v_all[6]/c_v_all[9];
h[i][1] -= proj_all[2] * path[i][4] + c_v_all[7]/c_v_all[9]; h[i][1] -= proj_all[2] * path[i][4] + c_v_all[7]/c_v_all[9];
h[i][2] -= proj_all[2] * path[i][5] + c_v_all[8]/c_v_all[9]; h[i][2] -= proj_all[2] * path[i][5] + c_v_all[8]/c_v_all[9];
} }
} }
}
if (od_flag == 0) { if (od_flag == 0) {
for (int i = 0; i < nlocal; i++){ for (int i = 0; i < nlocal; i++){
if (mask[i] & groupbit) { if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue; if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
if(rmass) mass_f = sqrt(rmass[i]); if(rmass) mass_f = sqrt(rmass[i]);
else mass_f = sqrt(mass[type[i]]); else mass_f = sqrt(mass[type[i]]);
@ -391,13 +383,11 @@ void FixHP::post_force(int vflag)
f[i][1] += -gamma * mass_f * mass_f * v[i][1]; f[i][1] += -gamma * mass_f * mass_f * v[i][1];
f[i][2] += -gamma * mass_f * mass_f * v[i][2]; f[i][2] += -gamma * mass_f * mass_f * v[i][2];
if(!minimization) {
f[i][0] += sqrtD * mass_f * h[i][0]; f[i][0] += sqrtD * mass_f * h[i][0];
f[i][1] += sqrtD * mass_f * h[i][1]; f[i][1] += sqrtD * mass_f * h[i][1];
f[i][2] += sqrtD * mass_f * h[i][2]; f[i][2] += sqrtD * mass_f * h[i][2];
} }
} }
}
} else { } else {
for (int i = 0; i < nlocal; i++){ for (int i = 0; i < nlocal; i++){
if (mask[i] & groupbit) { if (mask[i] & groupbit) {
@ -406,11 +396,9 @@ void FixHP::post_force(int vflag)
if(rmass) mass_f = sqrt(rmass[i]); if(rmass) mass_f = sqrt(rmass[i]);
else mass_f = sqrt(mass[type[i]]); else mass_f = sqrt(mass[type[i]]);
if(!minimization) {
f[i][0] += sqrtD * h[i][0] * mass_f; f[i][0] += sqrtD * h[i][0] * mass_f;
f[i][1] += sqrtD * h[i][1] * mass_f; f[i][1] += sqrtD * h[i][1] * mass_f;
f[i][2] += sqrtD * h[i][2] * mass_f; f[i][2] += sqrtD * h[i][2] * mass_f;
}
f[i][0] /= gamma * mass_f * mass_f; f[i][0] /= gamma * mass_f * mass_f;
f[i][1] /= gamma * mass_f * mass_f; f[i][1] /= gamma * mass_f * mass_f;
@ -419,7 +407,8 @@ void FixHP::post_force(int vflag)
} }
} }
} }
}
};
void FixHP::post_force_respa(int vflag, int ilevel, int iloop) void FixHP::post_force_respa(int vflag, int ilevel, int iloop)
{ {
@ -447,7 +436,127 @@ void FixHP::post_force_respa(int vflag, int ilevel, int iloop)
void FixHP::min_post_force(int vflag) void FixHP::min_post_force(int vflag)
{ {
post_force(vflag); double **x = atom->x;
double **v = atom->v;
double **f = atom->f;
double *rmass = atom->rmass;
double *mass = atom->mass;
int *type = atom->type;
int *mask = atom->mask;
int nlocal = atom->nlocal;
// update region if necessary
Region *region = NULL;
if (iregion >= 0) {
region = domain->regions[iregion];
region->prematch();
}
PathCompute->compute_peratom();
double **path = PathCompute->array_atom;
double xum=0.;
// proj 0,1,2 = f.n, v.n, h.n
// proj 3,4,5 = psi, f.n**2, f*(1-psi)
// c_v 0,1,2 = fxcom, fycom, fzcom etc
for(int i = 0; i < 10; i++) {
c_v[i] = 0.;
c_v_all[i] = 0.;
}
for(int i = 0; i < 5; i++) {
proj[i] = 0.;
proj_all[i] = 0.;
}
double deviation[3] = {0.,0.,0.};
double fn;
force_flag=0;
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
proj[0] += f[i][0] * path[i][3]; // f.n
proj[0] += f[i][1] * path[i][4]; // f.n
proj[0] += f[i][2] * path[i][5]; // f.n
proj[1] += v[i][0] * path[i][3]; // v.n
proj[1] += v[i][1] * path[i][4]; // v.n
proj[1] += v[i][2] * path[i][5]; // v.n
proj[2] += h[i][0] * path[i][3]; // h.n
proj[2] += h[i][1] * path[i][4]; // h.n
proj[2] += h[i][2] * path[i][5]; // h.n
deviation[0] = x[i][0]-path[i][0]; // x-path
deviation[1] = x[i][1]-path[i][1]; // x-path
deviation[2] = x[i][2]-path[i][2]; // x-path
domain->minimum_image(deviation);
proj[3] += path[i][6]*deviation[0]; // (x-path).dn/nn = psi
proj[3] += path[i][7]*deviation[1]; // (x-path).dn/nn = psi
proj[3] += path[i][8]*deviation[2]; // (x-path).dn/nn = psi
proj[4] += path[i][3]*deviation[0]; // (x-path).n
proj[4] += path[i][4]*deviation[1]; // (x-path).n
proj[4] += path[i][5]*deviation[2]; // (x-path).n
}
}
if(com_flag == 0){
c_v[9] += 1.0;
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
c_v[0] += f[i][0];
c_v[1] += f[i][1];
c_v[2] += f[i][2];
c_v[3] += v[i][0];
c_v[4] += v[i][1];
c_v[5] += v[i][2];
c_v[6] += h[i][0];
c_v[7] += h[i][1];
c_v[8] += h[i][2];
c_v[9] += 1.0;
}
}
MPI_Allreduce(proj,proj_all,5,MPI_DOUBLE,MPI_SUM,world);
MPI_Allreduce(c_v,c_v_all,10,MPI_DOUBLE,MPI_SUM,world);
// results - f.n*(1-psi), (f.n)^2*(1-psi)^2, 1-psi, dX.n
if(comm->me ==0) {
results_all[0] = proj_all[0] * (1.-proj_all[3]);
results_all[1] = results_all[0] * results_all[0];
results_all[2] = 1.-proj_all[3];
results_all[3] = proj_all[4];
}
MPI_Bcast(results_all,4,MPI_DOUBLE,0,world);
force_flag = 1;
for (int i = 0; i < nlocal; i++){
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
f[i][0] -= proj_all[0] * path[i][3] + c_v_all[0]/c_v_all[9];
f[i][1] -= proj_all[0] * path[i][4] + c_v_all[1]/c_v_all[9];
f[i][2] -= proj_all[0] * path[i][5] + c_v_all[2]/c_v_all[9];
v[i][0] -= proj_all[1] * path[i][3] + c_v_all[3]/c_v_all[9];
v[i][1] -= proj_all[1] * path[i][4] + c_v_all[4]/c_v_all[9];
v[i][2] -= proj_all[1] * path[i][5] + c_v_all[5]/c_v_all[9];
}
}
}; };
double FixHP::compute_vector(int n) double FixHP::compute_vector(int n)
@ -474,8 +583,8 @@ void FixHP::initial_integrate(int vflag)
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
if (igroup == atom->firstgroup) nlocal = atom->nfirst; if (igroup == atom->firstgroup) nlocal = atom->nfirst;
lmp->modify->compute[icompute]->compute_peratom(); PathCompute->compute_peratom();
double **path = lmp->modify->compute[icompute]->array_atom; double **path = PathCompute->array_atom;
for(int i = 0; i < 10; i++) { for(int i = 0; i < 10; i++) {
c_v[i] = 0.; c_v[i] = 0.;
@ -586,8 +695,8 @@ void FixHP::final_integrate()
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
if (igroup == atom->firstgroup) nlocal = atom->nfirst; if (igroup == atom->firstgroup) nlocal = atom->nfirst;
lmp->modify->compute[icompute]->compute_peratom(); PathCompute->compute_peratom();
double **path = lmp->modify->compute[icompute]->array_atom; double **path = PathCompute->array_atom;
for(int i = 0; i < 10; i++) { for(int i = 0; i < 10; i++) {
c_v[i] = 0.; c_v[i] = 0.;

4
src/USER-PAFI/fix_hp.h
View File

@ -21,6 +21,7 @@ FixStyle(hp,FixHP)
#define LMP_FIX_HP_H #define LMP_FIX_HP_H
#include "fix.h" #include "fix.h"
#include "compute.h"
namespace LAMMPS_NS { namespace LAMMPS_NS {
@ -50,11 +51,10 @@ class FixHP : public Fix {
protected: protected:
int varflag,iregion,icompute; int varflag,iregion,icompute;
char *idregion, *computename; char *idregion, *computename;
Compute *PathCompute;
double proj[5], proj_all[5]; // f,v,h, psi double proj[5], proj_all[5]; // f,v,h, psi
double results[4], results_all[4]; // f.n, (f.n)**2, psi, dx.n double results[4], results_all[4]; // f.n, (f.n)**2, psi, dx.n
double c_v[10],c_v_all[10]; double c_v[10],c_v_all[10];
bool minimization; // flag for min_post_force etc
double temperature,gamma,sqrtD,t_period,local_norm,mass_f; double temperature,gamma,sqrtD,t_period,local_norm,mass_f;
int force_flag,od_flag,com_flag; int force_flag,od_flag,com_flag;
int nlevels_respa,ilevel_respa; int nlevels_respa,ilevel_respa;

5
src/atom.cpp
View File

@ -2294,6 +2294,11 @@ void *Atom::extract(char *name)
if (strcmp(name,"dpdTheta") == 0) return (void *) dpdTheta; if (strcmp(name,"dpdTheta") == 0) return (void *) dpdTheta;
if (strcmp(name,"edpd_temp") == 0) return (void *) edpd_temp; if (strcmp(name,"edpd_temp") == 0) return (void *) edpd_temp;
// when used with fix property/atom
int cf=0;
int idv = find_custom(name, cf);
if(idv>=0) return (void *) dvector[idv];
return NULL; return NULL;
} }

798
src/fix_hp.cpp Normal file
View File

@ -0,0 +1,798 @@
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ------------------------------------------------------------------------
Contributing authors: Thomas Swinburne (CNRS & CINaM, Marseille, France)
Please cite the related publication:
T.D. Swinburne and M.-C. Marinica, Unsupervised calculation of free energy barriers in large crystalline systems, Physical Review Letters 2018
------------------------------------------------------------------------- */
#include <mpi.h>
#include <math.h>
#include <string.h>
#include <stdlib.h>
#include "fix_hp.h"
#include "math_extra.h"
#include "atom.h"
#include "force.h"
#include "update.h"
#include "modify.h"
#include "domain.h"
#include "region.h"
#include "respa.h"
#include "comm.h"
#include "input.h"
#include "variable.h"
#include "random_mars.h"
#include "memory.h"
#include "error.h"
#include "group.h"
#include "citeme.h"
using namespace LAMMPS_NS;
static const char cite_user_pafi_package[] =
"USER-PAFI package:\n\n"
"@article{SwinburneMarinica2018,\n"
"author={T. D. Swinburne and M. C. Marinica},\n"
"title={Unsupervised calculation of free energy barriers in large crystalline systems},\n"
"journal={Physical Review Letters},\n"
"volume={276},\n"
"number={1},\n"
"pages={154--165},\n"
"year={2018},\n"
"publisher={APS}\n"
"}\n\n";
using namespace FixConst;
enum{NONE,CONSTANT,EQUAL,ATOM};
/* ---------------------------------------------------------------------- */
FixHP::FixHP(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg), idregion(NULL), random(NULL)
{
if (lmp->citeme) lmp->citeme->add(cite_user_pafi_package);
// fix NAME GROUP hp COMPUTENAME T DAMP SEED overdamped 0/1 com 0/1
if (narg < 11) error->all(FLERR,"Illegal fix hp command");
dynamic_group_allow = 1;
vector_flag = 1;
size_vector = 4;
global_freq = 1;
extvector = 0;
od_flag = 0;
com_flag = 0;
int n = strlen(arg[3])+1;
computename = new char[n];
strcpy(computename,&arg[3][0]);
icompute = modify->find_compute(computename);
char buffer[128];
if (icompute < 0) {
sprintf(buffer,"Compute %s for fix hp does not exist",computename);
error->all(FLERR,buffer);
}
PathCompute = modify->compute[icompute];
if (PathCompute->peratom_flag==0) {
sprintf(buffer,"Compute %s for fix hp does not calculate a local array",computename);
error->all(FLERR,buffer);
}
if (PathCompute->size_peratom_cols < domain->dimension*3) {
sprintf(buffer,"Compute %s for fix hp has %d < %d fields per atom",computename,PathCompute->size_peratom_cols,domain->dimension*3);
error->all(FLERR,buffer);
}
if (comm->me==0) {
if (screen) fprintf(screen,"fix hp compute name,style: %s,%s\n",computename,PathCompute->style);
if (logfile) fprintf(logfile,"fix hp compute name,style: %s,%s\n",computename,PathCompute->style);
}
respa_level_support = 1;
ilevel_respa = nlevels_respa = 0;
temperature = force->numeric(FLERR,arg[4]);
t_period = force->numeric(FLERR,arg[5]);
seed = force->inumeric(FLERR,arg[6]);
// TODO UNITS
gamma = 1. / t_period / force->ftm2v;
sqrtD = sqrt(1.) * sqrt(24.0*force->boltz/t_period/update->dt/force->mvv2e*temperature) / force->ftm2v;
// optional args
iregion = -1;
idregion = NULL; // not used
int iarg = 7;
while (iarg < narg) {
if (strcmp(arg[iarg],"region") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix hp command");
iregion = domain->find_region(arg[iarg+1]);
if (iregion == -1)
error->all(FLERR,"Region ID for fix hp does not exist");
int n = strlen(arg[iarg+1]) + 1;
idregion = new char[n];
strcpy(idregion,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"overdamped") == 0) {
od_flag = force->inumeric(FLERR,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"com") == 0) {
com_flag = force->inumeric(FLERR,arg[iarg+1]);
iarg += 2;
} else error->all(FLERR,"Illegal fix hp command");
}
force_flag = 0;
for(int i = 0; i < 10; i++) {
c_v[i] = 0.;
c_v_all[i] = 0.;
}
for(int i=0; i<5; i++) {
proj[i] = 0.0;
proj_all[i] = 0.0;
}
for(int i=0; i<4; i++) {
results[i] = 0.0;
results_all[i] = 0.0;
}
maxatom = 1;
memory->create(h,maxatom,3,"fixhp:h");
// initialize Marsaglia RNG with processor-unique seed
random = new RanMars(lmp,seed + comm->me);
// nve
dynamic_group_allow = 1;
time_integrate = 1;
}
/* ---------------------------------------------------------------------- */
FixHP::~FixHP()
{
if (copymode) return;
delete random;
delete [] idregion;
memory->destroy(h);
}
/* ---------------------------------------------------------------------- */
int FixHP::setmask()
{
int mask = 0;
mask |= POST_FORCE;
mask |= POST_FORCE_RESPA;
mask |= MIN_POST_FORCE;
mask |= INITIAL_INTEGRATE;
// nve
mask |= FINAL_INTEGRATE;
mask |= INITIAL_INTEGRATE_RESPA;
mask |= FINAL_INTEGRATE_RESPA;
return mask;
}
/* ---------------------------------------------------------------------- */
void FixHP::init()
{
// set index and check validity of region
// nve
dtv = update->dt;
dtf = 0.5 * update->dt * force->ftm2v;
if (iregion >= 0) {
iregion = domain->find_region(idregion);
if (iregion == -1)
error->all(FLERR,"Region ID for fix hp does not exist");
}
if (strstr(update->integrate_style,"respa")) {
step_respa = ((Respa *) update->integrate)->step; // nve
nlevels_respa = ((Respa *) update->integrate)->nlevels;
if (respa_level >= 0) ilevel_respa = MIN(respa_level,nlevels_respa-1);
else ilevel_respa = nlevels_respa-1;
}
}
void FixHP::setup(int vflag)
{
if (strstr(update->integrate_style,"verlet"))
post_force(vflag);
else
for (int ilevel = 0; ilevel < nlevels_respa; ilevel++) {
((Respa *) update->integrate)->copy_flevel_f(ilevel);
post_force_respa(vflag,ilevel,0);
((Respa *) update->integrate)->copy_f_flevel(ilevel);
}
}
void FixHP::min_setup(int vflag)
{
if( strcmp(update->minimize_style,"fire")!=0 && strcmp(update->minimize_style,"quickmin")!=0 )
error->all(FLERR,"fix hp requires damped dynamics minimizer");
min_post_force(vflag);
}
void FixHP::post_force(int vflag)
{
double **x = atom->x;
double **v = atom->v;
double **f = atom->f;
double *rmass = atom->rmass;
double *mass = atom->mass;
int *type = atom->type;
int *mask = atom->mask;
int nlocal = atom->nlocal;
// update region if necessary
Region *region = NULL;
if (iregion >= 0) {
region = domain->regions[iregion];
region->prematch();
}
// reallocate norm array if necessary
if (atom->nmax > maxatom) {
maxatom = atom->nmax;
memory->destroy(h);
memory->create(h,maxatom,3,"fixhp:h");
}
PathCompute->compute_peratom();
double **path = PathCompute->array_atom;
double xum=0.;
// proj 0,1,2 = f.n, v.n, h.n
// proj 3,4,5 = psi, f.n**2, f*(1-psi)
// c_v 0,1,2 = fxcom, fycom, fzcom etc
for(int i = 0; i < 10; i++) {
c_v[i] = 0.;
c_v_all[i] = 0.;
}
for(int i = 0; i < 5; i++) {
proj[i] = 0.;
proj_all[i] = 0.;
}
double deviation[3] = {0.,0.,0.};
double fn;
force_flag=0;
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
h[i][0] = random->uniform() - 0.5;
h[i][1] = random->uniform() - 0.5;
h[i][2] = random->uniform() - 0.5;
proj[0] += f[i][0] * path[i][3]; // f.n
proj[0] += f[i][1] * path[i][4]; // f.n
proj[0] += f[i][2] * path[i][5]; // f.n
proj[1] += v[i][0] * path[i][3]; // v.n
proj[1] += v[i][1] * path[i][4]; // v.n
proj[1] += v[i][2] * path[i][5]; // v.n
proj[2] += h[i][0] * path[i][3]; // h.n
proj[2] += h[i][1] * path[i][4]; // h.n
proj[2] += h[i][2] * path[i][5]; // h.n
deviation[0] = x[i][0]-path[i][0]; // x-path
deviation[1] = x[i][1]-path[i][1]; // x-path
deviation[2] = x[i][2]-path[i][2]; // x-path
domain->minimum_image(deviation);
proj[3] += path[i][6]*deviation[0]; // (x-path).dn/nn = psi
proj[3] += path[i][7]*deviation[1]; // (x-path).dn/nn = psi
proj[3] += path[i][8]*deviation[2]; // (x-path).dn/nn = psi
proj[4] += path[i][3]*deviation[0]; // (x-path).n
proj[4] += path[i][4]*deviation[1]; // (x-path).n
proj[4] += path[i][5]*deviation[2]; // (x-path).n
}
}
if(com_flag == 0){
c_v[9] += 1.0;
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
c_v[0] += f[i][0];
c_v[1] += f[i][1];
c_v[2] += f[i][2];
c_v[3] += v[i][0];
c_v[4] += v[i][1];
c_v[5] += v[i][2];
c_v[6] += h[i][0];
c_v[7] += h[i][1];
c_v[8] += h[i][2];
c_v[9] += 1.0;
}
}
MPI_Allreduce(proj,proj_all,5,MPI_DOUBLE,MPI_SUM,world);
MPI_Allreduce(c_v,c_v_all,10,MPI_DOUBLE,MPI_SUM,world);
// results - f.n*(1-psi), (f.n)^2*(1-psi)^2, 1-psi, dX.n
if(comm->me ==0) {
results_all[0] = proj_all[0] * (1.-proj_all[3]);
results_all[1] = results_all[0] * results_all[0];
results_all[2] = 1.-proj_all[3];
results_all[3] = proj_all[4];
}
MPI_Bcast(results_all,4,MPI_DOUBLE,0,world);
force_flag = 1;
for (int i = 0; i < nlocal; i++){
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
f[i][0] -= proj_all[0] * path[i][3] + c_v_all[0]/c_v_all[9];
f[i][1] -= proj_all[0] * path[i][4] + c_v_all[1]/c_v_all[9];
f[i][2] -= proj_all[0] * path[i][5] + c_v_all[2]/c_v_all[9];
v[i][0] -= proj_all[1] * path[i][3] + c_v_all[3]/c_v_all[9];
v[i][1] -= proj_all[1] * path[i][4] + c_v_all[4]/c_v_all[9];
v[i][2] -= proj_all[1] * path[i][5] + c_v_all[5]/c_v_all[9];
h[i][0] -= proj_all[2] * path[i][3] + c_v_all[6]/c_v_all[9];
h[i][1] -= proj_all[2] * path[i][4] + c_v_all[7]/c_v_all[9];
h[i][2] -= proj_all[2] * path[i][5] + c_v_all[8]/c_v_all[9];
}
}
if (od_flag == 0) {
for (int i = 0; i < nlocal; i++){
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
if(rmass) mass_f = sqrt(rmass[i]);
else mass_f = sqrt(mass[type[i]]);
f[i][0] += -gamma * mass_f * mass_f * v[i][0];
f[i][1] += -gamma * mass_f * mass_f * v[i][1];
f[i][2] += -gamma * mass_f * mass_f * v[i][2];
f[i][0] += sqrtD * mass_f * h[i][0];
f[i][1] += sqrtD * mass_f * h[i][1];
f[i][2] += sqrtD * mass_f * h[i][2];
}
}
} else {
for (int i = 0; i < nlocal; i++){
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
if(rmass) mass_f = sqrt(rmass[i]);
else mass_f = sqrt(mass[type[i]]);
f[i][0] += sqrtD * h[i][0] * mass_f;
f[i][1] += sqrtD * h[i][1] * mass_f;
f[i][2] += sqrtD * h[i][2] * mass_f;
f[i][0] /= gamma * mass_f * mass_f;
f[i][1] /= gamma * mass_f * mass_f;
f[i][2] /= gamma * mass_f * mass_f;
}
}
}
};
void FixHP::post_force_respa(int vflag, int ilevel, int iloop)
{
// set force to desired value on requested level, 0.0 on other levels
if (ilevel == ilevel_respa) post_force(vflag);
else {
Region *region = NULL;
if (iregion >= 0) {
region = domain->regions[iregion];
region->prematch();
}
double **x = atom->x;
double **f = atom->f;
int *mask = atom->mask;
int nlocal = atom->nlocal;
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
for (int k = 0; k < 3; k++) f[i][k] = 0.0;
}
}
};
void FixHP::min_post_force(int vflag)
{
double **x = atom->x;
double **v = atom->v;
double **f = atom->f;
double *rmass = atom->rmass;
double *mass = atom->mass;
int *type = atom->type;
int *mask = atom->mask;
int nlocal = atom->nlocal;
// update region if necessary
Region *region = NULL;
if (iregion >= 0) {
region = domain->regions[iregion];
region->prematch();
}
PathCompute->compute_peratom();
double **path = PathCompute->array_atom;
double xum=0.;
// proj 0,1,2 = f.n, v.n, h.n
// proj 3,4,5 = psi, f.n**2, f*(1-psi)
// c_v 0,1,2 = fxcom, fycom, fzcom etc
for(int i = 0; i < 10; i++) {
c_v[i] = 0.;
c_v_all[i] = 0.;
}
for(int i = 0; i < 5; i++) {
proj[i] = 0.;
proj_all[i] = 0.;
}
double deviation[3] = {0.,0.,0.};
double fn;
force_flag=0;
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
proj[0] += f[i][0] * path[i][3]; // f.n
proj[0] += f[i][1] * path[i][4]; // f.n
proj[0] += f[i][2] * path[i][5]; // f.n
proj[1] += v[i][0] * path[i][3]; // v.n
proj[1] += v[i][1] * path[i][4]; // v.n
proj[1] += v[i][2] * path[i][5]; // v.n
proj[2] += h[i][0] * path[i][3]; // h.n
proj[2] += h[i][1] * path[i][4]; // h.n
proj[2] += h[i][2] * path[i][5]; // h.n
deviation[0] = x[i][0]-path[i][0]; // x-path
deviation[1] = x[i][1]-path[i][1]; // x-path
deviation[2] = x[i][2]-path[i][2]; // x-path
domain->minimum_image(deviation);
proj[3] += path[i][6]*deviation[0]; // (x-path).dn/nn = psi
proj[3] += path[i][7]*deviation[1]; // (x-path).dn/nn = psi
proj[3] += path[i][8]*deviation[2]; // (x-path).dn/nn = psi
proj[4] += path[i][3]*deviation[0]; // (x-path).n
proj[4] += path[i][4]*deviation[1]; // (x-path).n
proj[4] += path[i][5]*deviation[2]; // (x-path).n
}
}
if(com_flag == 0){
c_v[9] += 1.0;
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
c_v[0] += f[i][0];
c_v[1] += f[i][1];
c_v[2] += f[i][2];
c_v[3] += v[i][0];
c_v[4] += v[i][1];
c_v[5] += v[i][2];
c_v[6] += h[i][0];
c_v[7] += h[i][1];
c_v[8] += h[i][2];
c_v[9] += 1.0;
}
}
MPI_Allreduce(proj,proj_all,5,MPI_DOUBLE,MPI_SUM,world);
MPI_Allreduce(c_v,c_v_all,10,MPI_DOUBLE,MPI_SUM,world);
// results - f.n*(1-psi), (f.n)^2*(1-psi)^2, 1-psi, dX.n
if(comm->me ==0) {
results_all[0] = proj_all[0] * (1.-proj_all[3]);
results_all[1] = results_all[0] * results_all[0];
results_all[2] = 1.-proj_all[3];
results_all[3] = proj_all[4];
}
MPI_Bcast(results_all,4,MPI_DOUBLE,0,world);
force_flag = 1;
for (int i = 0; i < nlocal; i++){
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
f[i][0] -= proj_all[0] * path[i][3] + c_v_all[0]/c_v_all[9];
f[i][1] -= proj_all[0] * path[i][4] + c_v_all[1]/c_v_all[9];
f[i][2] -= proj_all[0] * path[i][5] + c_v_all[2]/c_v_all[9];
v[i][0] -= proj_all[1] * path[i][3] + c_v_all[3]/c_v_all[9];
v[i][1] -= proj_all[1] * path[i][4] + c_v_all[4]/c_v_all[9];
v[i][2] -= proj_all[1] * path[i][5] + c_v_all[5]/c_v_all[9];
}
}
};
double FixHP::compute_vector(int n)
{
return results_all[n];
};
void FixHP::initial_integrate(int vflag)
{
double dtfm;
// update v and x of atoms in group
double **x = atom->x;
double **v = atom->v;
double **f = atom->f;
double *rmass = atom->rmass;
double *mass = atom->mass;
int *type = atom->type;
int *mask = atom->mask;
int nlocal = atom->nlocal;
if (igroup == atom->firstgroup) nlocal = atom->nfirst;
PathCompute->compute_peratom();
double **path = PathCompute->array_atom;
for(int i = 0; i < 10; i++) {
c_v[i] = 0.;
c_v_all[i] = 0.;
}
for(int i = 0; i < 5; i++) {
proj[i] = 0.;
proj_all[i] = 0.;
}
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
proj[0] += f[i][0] * path[i][3]; // f.n
proj[0] += f[i][1] * path[i][4]; // f.n
proj[0] += f[i][2] * path[i][5]; // f.n
proj[1] += v[i][0] * path[i][3]; // v.n
proj[1] += v[i][1] * path[i][4]; // v.n
proj[1] += v[i][2] * path[i][5]; // v.n
}
}
if(com_flag == 0){
c_v[9] += 1.0;
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
c_v[0] += v[i][0];
c_v[1] += v[i][1];
c_v[2] += v[i][2];
c_v[3] += f[i][0];
c_v[4] += f[i][1];
c_v[5] += f[i][2];
c_v[9] += 1.0;
}
}
MPI_Allreduce(proj,proj_all,5,MPI_DOUBLE,MPI_SUM,world);
MPI_Allreduce(c_v,c_v_all,10,MPI_DOUBLE,MPI_SUM,world);
if (od_flag == 0){
if (rmass) {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
dtfm = dtf / rmass[i];
v[i][0] += dtfm * (f[i][0]-path[i][3]*proj_all[0] - c_v_all[3]/c_v_all[9]);
v[i][1] += dtfm * (f[i][1]-path[i][4]*proj_all[0] - c_v_all[4]/c_v_all[9]);
v[i][2] += dtfm * (f[i][2]-path[i][5]*proj_all[0] - c_v_all[5]/c_v_all[9]);
x[i][0] += dtv * (v[i][0]-path[i][3]*proj_all[1] - c_v_all[0]/c_v_all[9]);
x[i][1] += dtv * (v[i][1]-path[i][4]*proj_all[1] - c_v_all[1]/c_v_all[9]);
x[i][2] += dtv * (v[i][2]-path[i][5]*proj_all[1] - c_v_all[2]/c_v_all[9]);
}
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
dtfm = dtf / mass[type[i]];
v[i][0] += dtfm * (f[i][0]-path[i][3]*proj_all[0] - c_v_all[3]/c_v_all[9]);
v[i][1] += dtfm * (f[i][1]-path[i][4]*proj_all[0] - c_v_all[4]/c_v_all[9]);
v[i][2] += dtfm * (f[i][2]-path[i][5]*proj_all[0] - c_v_all[5]/c_v_all[9]);
x[i][0] += dtv * (v[i][0]-path[i][3]*proj_all[1] - c_v_all[0]/c_v_all[9]);
x[i][1] += dtv * (v[i][1]-path[i][4]*proj_all[1] - c_v_all[1]/c_v_all[9]);
x[i][2] += dtv * (v[i][2]-path[i][5]*proj_all[1] - c_v_all[2]/c_v_all[9]);
}
}
} else {
if (rmass) {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
dtfm = dtf / rmass[i];
v[i][0] = 0.;
v[i][1] = 0.;
v[i][2] = 0.;
x[i][0] += dtv * (f[i][0]-path[i][3]*proj_all[0] - c_v_all[3]/c_v_all[9]);
x[i][1] += dtv * (f[i][1]-path[i][4]*proj_all[0] - c_v_all[4]/c_v_all[9]);
x[i][2] += dtv * (f[i][2]-path[i][5]*proj_all[0] - c_v_all[5]/c_v_all[9]);
}
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
dtfm = dtf / mass[type[i]];
v[i][0] = 0.;
v[i][1] = 0.;
v[i][2] = 0.;
x[i][0] += dtv * (f[i][0]-path[i][3]*proj_all[0] - c_v_all[3]/c_v_all[9]);
x[i][1] += dtv * (f[i][1]-path[i][4]*proj_all[0] - c_v_all[4]/c_v_all[9]);
x[i][2] += dtv * (f[i][2]-path[i][5]*proj_all[0] - c_v_all[5]/c_v_all[9]);
}
}
}
};
/* ---------------------------------------------------------------------- */
void FixHP::final_integrate()
{
double dtfm;
// update v of atoms in group
double **v = atom->v;
double **f = atom->f;
double *rmass = atom->rmass;
double *mass = atom->mass;
int *type = atom->type;
int *mask = atom->mask;
int nlocal = atom->nlocal;
if (igroup == atom->firstgroup) nlocal = atom->nfirst;
PathCompute->compute_peratom();
double **path = PathCompute->array_atom;
for(int i = 0; i < 10; i++) {
c_v[i] = 0.;
c_v_all[i] = 0.;
}
for(int i = 0; i < 5; i++) {
proj[i] = 0.;
proj_all[i] = 0.;
}
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
proj[0] += f[i][0] * path[i][3]; // f.n
proj[0] += f[i][1] * path[i][4]; // f.n
proj[0] += f[i][2] * path[i][5]; // f.n
}
if(com_flag == 0){
c_v[9] += 1.0;
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
c_v[3] += f[i][0];
c_v[4] += f[i][1];
c_v[5] += f[i][2];
c_v[9] += 1.0;
}
}
MPI_Allreduce(proj,proj_all,5,MPI_DOUBLE,MPI_SUM,world);
MPI_Allreduce(c_v,c_v_all,10,MPI_DOUBLE,MPI_SUM,world);
if (od_flag == 0){
if (rmass) {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
dtfm = dtf / rmass[i];
v[i][0] += dtfm * (f[i][0]-path[i][3]*proj_all[0] - c_v_all[3]/c_v_all[9]);
v[i][1] += dtfm * (f[i][1]-path[i][4]*proj_all[0] - c_v_all[4]/c_v_all[9]);
v[i][2] += dtfm * (f[i][2]-path[i][5]*proj_all[0] - c_v_all[5]/c_v_all[9]);
}
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
dtfm = dtf / mass[type[i]];
v[i][0] += dtfm * (f[i][0]-path[i][3]*proj_all[0] - c_v_all[3]/c_v_all[9]);
v[i][1] += dtfm * (f[i][1]-path[i][4]*proj_all[0] - c_v_all[4]/c_v_all[9]);
v[i][2] += dtfm * (f[i][2]-path[i][5]*proj_all[0] - c_v_all[5]/c_v_all[9]);
}
}
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
v[i][0] = 0.;
v[i][1] = 0.;
v[i][2] = 0.;
}
}
};
/* ---------------------------------------------------------------------- */
void FixHP::initial_integrate_respa(int vflag, int ilevel, int iloop)
{
dtv = step_respa[ilevel];
dtf = 0.5 * step_respa[ilevel] * force->ftm2v;
// innermost level - NVE update of v and x
// all other levels - NVE update of v
if (ilevel == 0) initial_integrate(vflag);
else final_integrate();
};
/* ---------------------------------------------------------------------- */
void FixHP::final_integrate_respa(int ilevel, int iloop)
{
dtf = 0.5 * step_respa[ilevel] * force->ftm2v;
final_integrate();
};
/* ---------------------------------------------------------------------- */
void FixHP::reset_dt()
{
dtv = update->dt;
dtf = 0.5 * update->dt * force->ftm2v;
};
/* ----------------------------------------------------------------------
memory usage of local atom-based array
------------------------------------------------------------------------- */
double FixHP::memory_usage()
{
double bytes = 0.0;
bytes = maxatom*3 * sizeof(double);
return bytes;
};

101
src/fix_hp.h Normal file
View File

@ -0,0 +1,101 @@
/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle(hp,FixHP)
#else
#ifndef LMP_FIX_HP_H
#define LMP_FIX_HP_H
#include "fix.h"
#include "compute.h"
namespace LAMMPS_NS {
class FixHP : public Fix {
public:
FixHP(class LAMMPS *, int, char **);
virtual ~FixHP();
int setmask();
virtual void init();
void setup(int);
void min_setup(int);
virtual void post_force(int);
void post_force_respa(int, int, int);
void min_post_force(int);
double compute_vector(int);
// nve
virtual void initial_integrate(int);
virtual void final_integrate();
virtual void initial_integrate_respa(int, int, int);
virtual void final_integrate_respa(int, int);
virtual void reset_dt();
double memory_usage();
protected:
int varflag,iregion,icompute;
char *idregion, *computename;
Compute *PathCompute;
double proj[5], proj_all[5]; // f,v,h, psi
double results[4], results_all[4]; // f.n, (f.n)**2, psi, dx.n
double c_v[10],c_v_all[10];
double temperature,gamma,sqrtD,t_period,local_norm,mass_f;
int force_flag,od_flag,com_flag;
int nlevels_respa,ilevel_respa;
int maxatom;
class RanMars *random;
int seed;
double **h;
// nve
double dtv,dtf;
double *step_respa;
int mass_require;
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Region ID for fix setforce does not exist
Self-explanatory.
E: Variable name for fix setforce does not exist
Self-explanatory.
E: Variable for fix setforce is invalid style
Only equal-style variables can be used.
E: Cannot use non-zero forces in an energy minimization
Fix setforce cannot be used in this manner. Use fix addforce
instead.
*/

250
src/library.cpp
View File

@ -1507,7 +1507,6 @@ void lammps_gather_peratom_fix(void *ptr, char *id, int type, int count, void *d
BEGIN_CAPTURE BEGIN_CAPTURE
{ {
int i,j,offset; int i,j,offset;
int ifix = lmp->modify->find_fix(id); int ifix = lmp->modify->find_fix(id);
if (ifix < 0) { if (ifix < 0) {
lmp->error->warning(FLERR,"lammps_gather_peratom_fix: unknown fix id"); lmp->error->warning(FLERR,"lammps_gather_peratom_fix: unknown fix id");
@ -1716,255 +1715,6 @@ void lammps_gather_peratom_fix_subset(void *ptr, char *id, int type, int count,
} }
#endif #endif
/* ----------------------------------------------------------------------
scatter the named atom-based entity in data to all atoms
data is ordered by atom ID
requirement for consecutive atom IDs (1 to N)
see scatter_atoms_subset() to scatter data for some (or all) atoms, unordered
name = desired quantity, e.g. x or charge
type = 0 for integer values, 1 for double values
count = # of per-atom values, e.g. 1 for type or charge, 3 for x or f
use count = 3 with "image" for xyz to be packed into single image flag
data = atom-based values in 1d data, ordered by count, then by atom ID
e.g. x[0][0],x[0][1],x[0][2],x[1][0],x[1][1],x[1][2],x[2][0],...
data must be correct length = count*Natoms, as queried by get_natoms()
method:
loop over Natoms, if I own atom ID, set its values from data
------------------------------------------------------------------------- */
#if defined(LAMMPS_BIGBIG)
void lammps_scatter_peratom_fix(void *ptr, char * /*id */, int /*type*/, int /*count*/, void * /*data*/)
{
LAMMPS *lmp = (LAMMPS *) ptr;
BEGIN_CAPTURE
{
lmp->error->all(FLERR,"Library function lammps_scatter_peratom_fix() "
"is not compatible with -DLAMMPS_BIGBIG");
}
END_CAPTURE
}
#else
void lammps_scatter_peratom_fix(void *ptr, char *id, int type, int count, void *data)
{
LAMMPS *lmp = (LAMMPS *) ptr;
BEGIN_CAPTURE
{
int i,j,m,offset;
int ifix = lmp->modify->find_fix(id);
if (ifix < 0) {
lmp->error->warning(FLERR,"lammps_scatter_peratom_fix: unknown fix id");
return;
}
// error if tags are not defined or not consecutive or no atom map
// NOTE: test that name = image or ids is not a 64-bit int in code?
int flag = 0;
if (lmp->atom->tag_enable == 0 || lmp->atom->tag_consecutive() == 0)
flag = 1;
if (lmp->atom->natoms > MAXSMALLINT) flag = 1;
if (lmp->atom->map_style == 0) flag = 1;
if (flag) {
if (lmp->comm->me == 0)
lmp->error->warning(FLERR,"Library error in lammps_scatter_peratom_fix");
return;
}
Fix *fix = lmp->modify->fix[ifix];
int natoms = static_cast<int> (lmp->atom->natoms);
if (type == 0) {
int *vector = NULL;
int **array = NULL;
if (count == 1) vector = (int *) fix->vector_atom;
else array = (int **) fix->array_atom;
int *dptr = (int *) data;
if (count == 1) {
for (i = 0; i < natoms; i++)
if ((m = lmp->atom->map(i+1)) >= 0)
vector[m] = dptr[i];
} else {
for (i = 0; i < natoms; i++)
if ((m = lmp->atom->map(i+1)) >= 0) {
offset = count*i;
for (j = 0; j < count; j++)
array[m][j] = dptr[offset++];
}
}
} else {
double *vector = NULL;
double **array = NULL;
if (count == 1) vector = (double *) fix->vector_atom;
else array = (double **) fix->array_atom;
double *dptr = (double *) data;
if (count == 1) {
for (i = 0; i < natoms; i++)
if ((m = lmp->atom->map(i+1)) >= 0)
vector[m] = dptr[i];
} else {
for (i = 0; i < natoms; i++) {
if ((m = lmp->atom->map(i+1)) >= 0) {
offset = count*i;
for (j = 0; j < count; j++)
array[m][j] = dptr[offset++];
}
}
}
}
}
END_CAPTURE
}
#endif
/* ----------------------------------------------------------------------
scatter the named atom-based entity in data to a subset of atoms
data is ordered by provided atom IDs
no requirement for consecutive atom IDs (1 to N)
see scatter_atoms() to scatter data for all atoms, ordered by consecutive IDs
name = desired quantity, e.g. x or charge
type = 0 for integer values, 1 for double values
count = # of per-atom values, e.g. 1 for type or charge, 3 for x or f
use count = 3 with "image" for xyz to be packed into single image flag
ndata = # of atoms in ids and data (could be all atoms)
ids = list of Ndata atom IDs to scatter data to
data = atom-based values in 1d data, ordered by count, then by atom ID
e.g. x[0][0],x[0][1],x[0][2],x[1][0],x[1][1],x[1][2],x[2][0],...
data must be correct length = count*Ndata
method:
loop over Ndata, if I own atom ID, set its values from data
------------------------------------------------------------------------- */
#if defined(LAMMPS_BIGBIG)
void lammps_scatter_peratom_fix_subset(void *ptr, char * /*name */,
int /*type*/, int /*count*/,
int /*ndata*/, int * /*ids*/, void * /*data*/)
{
LAMMPS *lmp = (LAMMPS *) ptr;
BEGIN_CAPTURE
{
lmp->error->all(FLERR,"Library function lammps_scatter_atoms_subset() "
"is not compatible with -DLAMMPS_BIGBIG");
}
END_CAPTURE
}
#else
void lammps_scatter_peratom_fix_subset(void *ptr, char *name,
int type, int count,
int ndata, int *ids, void *data)
{
LAMMPS *lmp = (LAMMPS *) ptr;
BEGIN_CAPTURE
{
int i,j,m,offset;
tagint id;
// error if tags are not defined or no atom map
// NOTE: test that name = image or ids is not a 64-bit int in code?
int flag = 0;
if (lmp->atom->tag_enable == 0) flag = 1;
if (lmp->atom->natoms > MAXSMALLINT) flag = 1;
if (lmp->atom->map_style == 0) flag = 1;
if (flag) {
if (lmp->comm->me == 0)
lmp->error->warning(FLERR,"Library error in lammps_scatter_atoms_subset");
return;
}
void *vptr = lmp->atom->extract(name);
if(vptr == NULL) {
lmp->error->warning(FLERR,
"lammps_scatter_atoms_subset: unknown property name");
return;
}
// copy = Natom length vector of per-atom values
// use atom ID to insert each atom's values into copy
// MPI_Allreduce with MPI_SUM to merge into data, ordered by atom ID
if (type == 0) {
int *vector = NULL;
int **array = NULL;
const int imgpack = (count == 3) && (strcmp(name,"image") == 0);
if ((count == 1) || imgpack) vector = (int *) vptr;
else array = (int **) vptr;
int *dptr = (int *) data;
if (count == 1) {
for (i = 0; i < ndata; i++) {
id = ids[i];
if ((m = lmp->atom->map(id)) >= 0)
vector[m] = dptr[i];
}
} else if (imgpack) {
for (i = 0; i < ndata; i++) {
id = ids[i];
if ((m = lmp->atom->map(id)) >= 0) {
offset = count*i;
int image = dptr[offset++] + IMGMAX;
image += (dptr[offset++] + IMGMAX) << IMGBITS;
image += (dptr[offset++] + IMGMAX) << IMG2BITS;
vector[m] = image;
}
}
} else {
for (i = 0; i < ndata; i++) {
id = ids[i];
if ((m = lmp->atom->map(id)) >= 0) {
offset = count*i;
for (j = 0; j < count; j++)
array[m][j] = dptr[offset++];
}
}
}
} else {
double *vector = NULL;
double **array = NULL;
if (count == 1) vector = (double *) vptr;
else array = (double **) vptr;
double *dptr = (double *) data;
if (count == 1) {
for (i = 0; i < ndata; i++) {
id = ids[i];
if ((m = lmp->atom->map(id)) >= 0)
vector[m] = dptr[i];
}
} else {
for (i = 0; i < ndata; i++) {
id = ids[i];
if ((m = lmp->atom->map(id)) >= 0) {
offset = count*i;
for (j = 0; j < count; j++)
array[m][j] = dptr[offset++];
}
}
}
}
}
END_CAPTURE
}
#endif
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
create N atoms and assign them to procs based on coords create N atoms and assign them to procs based on coords
id = atom IDs (optional, NULL will generate 1 to N) id = atom IDs (optional, NULL will generate 1 to N)