80 lines
4.8 KiB
YAML
80 lines
4.8 KiB
YAML
---
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lammps_version: 17 Feb 2022
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date_generated: Fri Mar 18 22:17:59 2022
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epsilon: 5e-14
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skip_tests:
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prerequisites: ! |
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atom full
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atom dipole
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atom sphere
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fix nve/sphere
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pair lj/cut/dipole/cut
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pre_commands: ! ""
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post_commands: ! |
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pair_style lj/cut/dipole/cut 8.0
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pair_coeff * * 0.0 3.0
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fix test solute nve/sphere update dipole
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input_file: in.dipole
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natoms: 29
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run_pos: ! |2
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1 -2.7835185784846639e-01 2.4739635976824457e+00 -1.7266540613768827e-01
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2 3.0955514329308248e-01 2.9513889170933369e+00 -8.4519268900987066e-01
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3 -6.9665378550990509e-01 1.2476305820642475e+00 -6.2308611984435502e-01
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4 -1.5806536511342932e+00 1.4898713515536361e+00 -1.2603658774215603e+00
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5 -9.0717519433308624e-01 9.2534266508192531e-01 4.0970472951585468e-01
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6 2.9372040045726949e-01 2.2980343396372024e-01 -1.2829701974690204e+00
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7 3.4004502028145178e-01 -1.0586487242355438e-02 -2.4647780625263791e+00
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8 1.1647780304202811e+00 -4.8521861190064303e-01 -6.7576434032877364e-01
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9 1.3829078978517115e+00 -2.6565225956574745e-01 2.5173098859928428e-01
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10 2.0193698215890632e+00 -1.4271088019138458e+00 -9.6774705027509667e-01
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11 1.7884241068776707e+00 -1.9958727472997557e+00 -1.8938539300092048e+00
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12 3.0052615319846425e+00 -4.9066053656348119e-01 -1.6219039693969866e+00
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13 4.0475766599340517e+00 -8.9569608771837539e-01 -1.6399149097828032e+00
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14 2.6066830423067282e+00 -4.2009801994016499e-01 -2.6567767745821129e+00
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15 2.9673801024672457e+00 5.6046146476986802e-01 -1.2240301106852221e+00
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16 2.6514445448232995e+00 -2.3965662296702832e+00 3.6272911198516986e-02
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17 2.2323417902303007e+00 -2.1015988995003463e+00 1.1506700685408195e+00
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18 2.1384791188033843e+00 3.0177261773770208e+00 -3.5160827596876225e+00
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19 1.5349125211132961e+00 2.6315969880333707e+00 -4.2472859440220647e+00
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20 2.7641167828863153e+00 3.6833419064000221e+00 -3.9380850623312638e+00
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21 4.9064454390208301e+00 -4.0751205255383196e+00 -3.6215576073601046e+00
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22 4.3687453488627543e+00 -4.2054270536772504e+00 -4.4651491269372565e+00
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23 5.7374928154769504e+00 -3.5763355905184966e+00 -3.8820297194230728e+00
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24 2.0684115301174013e+00 3.1518221747664397e+00 3.1554242678474576e+00
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25 1.2998381073113014e+00 3.2755513587518097e+00 2.5092990173114837e+00
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26 2.5807438597688113e+00 4.0120175892854135e+00 3.2133398379059099e+00
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27 -1.9613581876744359e+00 -4.3556300596085160e+00 2.1101467673534788e+00
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28 -2.7406520384725965e+00 -4.0207251278130975e+00 1.5828689861678511e+00
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29 -1.3108232656499081e+00 -3.5992986322410760e+00 2.2680459788743503e+00
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run_vel: ! |2
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1 8.0473659311712108e-04 7.1569249347906293e-04 -4.3342870018006266e-04
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2 4.8898479203602872e-03 -4.7827042023383653e-03 8.0841799193837622e-03
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3 -1.0294756367549977e-03 1.9683076071813905e-03 -4.0617066185945003e-04
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4 -2.4747982635460650e-03 -4.0369263662479350e-04 -7.4617063284330562e-03
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5 -1.0926646593906205e-02 -1.0990152085046808e-02 7.1139929395277850e-03
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6 -9.5067271206254411e-05 1.3336935657649609e-03 5.4214461928120254e-04
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7 -4.3586025236289389e-05 -6.9109610170650215e-04 -6.9337762329437880e-04
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8 2.6803899143798955e-04 -6.5040541267279931e-04 6.8116655292381478e-04
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9 3.9386905614672216e-03 -9.3112400668916677e-03 -1.8163977072531323e-02
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10 3.9247060772836721e-04 7.8592522562680449e-04 -1.8488118631442108e-04
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11 -4.1794652638823824e-03 -7.0974426331113054e-03 -6.7076698172827591e-03
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12 1.1514884390152259e-03 -7.7558890534917975e-04 -1.7352975395072093e-03
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13 -1.2091918935275532e-03 2.1057712474429279e-03 -6.8173220473209044e-04
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14 3.4935556917242974e-03 -8.0116807211232828e-03 2.6013722731623324e-03
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15 -3.9745580146274334e-03 1.4335430630175937e-04 1.6407163363653991e-02
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16 -2.1348158583193186e-04 -3.5449321712298289e-04 1.8683099741508020e-03
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17 6.8803503268433628e-04 3.2662083176268592e-04 6.4072364607846313e-04
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18 -6.0936815808025862e-04 -9.3774557532468582e-04 -3.3558072507805731e-04
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19 -6.9919768291957119e-04 -3.6060777270430031e-03 4.2833405289822791e-03
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20 4.7777805013736515e-03 5.1003745845520452e-03 1.8002873923729241e-03
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21 -9.5568188553430398e-04 1.6594630943762931e-04 -1.8199788009966615e-04
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22 -3.3137518957653462e-03 -2.8683968287936054e-03 3.6384389958326871e-03
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23 2.4209481134686401e-04 -4.5457709985051130e-03 2.7663581642115042e-03
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24 2.5447450568861086e-04 4.8412447786110117e-04 -4.8021914527341357e-04
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25 4.3722771097312743e-03 -4.5184411669545515e-03 2.5200952006556795e-03
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26 -1.9250110555001179e-03 -3.0342169883610837e-03 3.5062814567984532e-03
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27 -2.6510179146429716e-04 3.6306203629019116e-04 -5.6235585400647747e-04
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28 -2.3068708109787484e-04 -8.5663070212203200e-04 2.1302563179109169e-03
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29 -2.5054744388303732e-03 -1.6773997805290820e-04 2.8436699761004796e-03
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...
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