source: tests/integration/MolecularDynamics/post/methane.ekin@ 91c409

Candidate_v1.7.0 stable
Last change on this file since 91c409 was 91c409, checked in by Frederik Heber <frederik.heber@…>, 11 days ago

TESTFIX: Fixes integration jobs.

  • also changes to due new k8s setup for poolworker and server.
  • moreover, the .ekin files have changed in their magnitudes due to the change in save-energies, see git hash 4b220712.
  • Property mode set to 100644
File size: 2.2 KB
Line 
1# Step Temperature [K] Temperature [a.u.] Momentum Abolute Momentum Force Absolute Force
20 0 0 0 0 0 0
31 6.63131e-08 2.10001e-13 1.50863e-16 1.42634e-06 0.00211491 0.00253608
42 5.58782e-07 1.76956e-12 3.98267e-16 4.14721e-06 0.00191794 0.00230147
53 1.35736e-06 4.2985e-12 2.45752e-16 6.48627e-06 0.00154631 0.00185858
64 2.16168e-06 6.84564e-12 6.93606e-16 8.23319e-06 0.00104642 0.00126201
75 2.67372e-06 8.46717e-12 5.63404e-16 9.23989e-06 0.000518864 0.000630743
86 2.71257e-06 8.5902e-12 1.04194e-15 9.438e-06 0.000449483 0.000535393
97 2.283e-06 7.22983e-12 9.80916e-16 8.85177e-06 0.000939346 0.00112269
108 1.57133e-06 4.9761e-12 4.25377e-16 7.61125e-06 0.00141752 0.00169359
119 8.70759e-07 2.75753e-12 5.34995e-16 6.01342e-06 0.00176489 0.00211218
1210 4.65627e-07 1.47456e-12 2.45152e-16 4.77338e-06 0.00193639 0.00231969
1311 5.19771e-07 1.64602e-12 4.54097e-16 4.63343e-06 0.00191298 0.00229362
1412 1.01248e-06 3.20632e-12 1.04975e-15 5.5964e-06 0.00169796 0.00203792
1513 1.74674e-06 5.53161e-12 5.84166e-16 7.0108e-06 0.00131631 0.0015888
1614 2.42657e-06 7.68449e-12 1.18883e-16 8.19813e-06 0.000817211 0.000999064
1715 2.77318e-06 8.78216e-12 1.4382e-16 8.70672e-06 0.000333106 0.000423937
1816 2.63495e-06 8.3444e-12 3.95744e-16 8.42897e-06 0.000528082 0.000630566
1917 2.04801e-06 6.48568e-12 8.09502e-16 7.36538e-06 0.00104725 0.00124796
2018 1.22385e-06 3.8757e-12 7.51739e-16 5.60908e-06 0.001493 0.00178051
2119 4.68298e-07 1.48301e-12 1.321e-16 3.38543e-06 0.00179313 0.00213963
2220 6.35177e-08 2.01149e-13 8.39277e-17 1.46443e-06 0.00191217 0.002283
2321 1.58941e-07 5.03336e-13 1.21993e-16 2.3127e-06 0.00183745 0.00219537
2422 7.13844e-07 2.26061e-12 7.37889e-16 4.60193e-06 0.00157913 0.00188856
2523 1.51391e-06 4.79426e-12 5.66077e-16 6.51598e-06 0.00117251 0.00140395
2624 2.25506e-06 7.14137e-12 8.32866e-16 7.81042e-06 0.00069651 0.000835142
2725 2.66159e-06 8.42876e-12 8.88553e-16 8.35799e-06 0.000448469 0.000548784
2826 2.59217e-06 8.20894e-12 3.46007e-16 8.14303e-06 0.000810418 0.000966341
2927 2.09279e-06 6.62749e-12 7.54434e-16 7.2235e-06 0.00129905 0.00155278
3028 1.37623e-06 4.35826e-12 9.65892e-16 5.78203e-06 0.00170109 0.00203175
3129 7.36929e-07 2.33372e-12 1.21595e-15 4.56729e-06 0.00194895 0.00232521
3230 0 0 0 0 0.00200927 0.00239413
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