source: tests/integration/MolecularDynamics/post/water.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: 2.0 KB
Line 
1# Step Temperature [K] Temperature [a.u.] Momentum Abolute Momentum Force Absolute Force
20 0 0 0 0 0 0
31 0.00449158 1.4224e-08 4.17364e-16 0.000303519 0.532165 0.607551
42 0.0353613 1.11983e-07 9.15186e-15 0.000848687 0.415137 0.474208
53 0.0754064 2.38798e-07 9.74202e-14 0.00123051 0.224388 0.256872
64 0.0997887 3.16012e-07 8.3032e-14 0.00139931 0.0167003 0.0218239
75 0.0972842 3.08081e-07 1.36355e-14 0.0013573 0.16609 0.188729
86 0.0727319 2.30328e-07 2.39297e-14 0.00114032 0.304852 0.346972
97 0.0398302 1.26135e-07 8.30003e-14 0.000800627 0.396375 0.451468
108 0.0130734 4.1401e-08 1.83344e-15 0.000414418 0.444154 0.506122
119 0.00270316 8.56042e-09 1.6624e-14 0.000307272 0.4523 0.515597
1210 0.0124638 3.94706e-08 5.5317e-15 0.000680549 0.422732 0.482065
1311 0.0389838 1.23454e-07 9.65385e-15 0.00108455 0.354448 0.404376
1412 0.0722548 2.28817e-07 1.07142e-13 0.00141093 0.244308 0.278957
1513 0.0977246 3.09476e-07 1.76806e-14 0.00160363 0.0898054 0.103013
1614 0.101255 3.20656e-07 1.1683e-14 0.00161382 0.105082 0.119358
1715 0.077346 2.44941e-07 4.01243e-14 0.00140691 0.321094 0.365465
1816 0.0368645 1.16743e-07 5.45781e-14 0.000981687 0.517215 0.588976
1917 0.00506928 1.60535e-08 1.0724e-14 0.000391296 0.638138 0.726781
2018 0.00449973 1.42498e-08 6.39715e-15 0.000283381 0.641673 0.730779
2119 0.0354349 1.12216e-07 1.73486e-13 0.000875822 0.527655 0.600779
2220 0.0756425 2.39546e-07 7.99551e-14 0.00130872 0.337992 0.384565
2321 0.0997342 3.1584e-07 3.16768e-14 0.00152614 0.127792 0.145079
2422 0.0965413 3.05728e-07 1.84708e-13 0.00152846 0.0620911 0.072245
2523 0.0713681 2.2601e-07 5.69558e-14 0.00134975 0.21254 0.243336
2624 0.0383223 1.2136e-07 2.04734e-14 0.00103863 0.319684 0.365351
2725 0.0120136 3.80449e-08 3.08496e-14 0.00065134 0.386093 0.440915
2826 0.00251678 7.97017e-09 1.43636e-14 0.000299352 0.414942 0.473624
2927 0.0132356 4.19148e-08 5.39565e-15 0.000413932 0.407261 0.464654
3028 0.0404091 1.27968e-07 5.70192e-15 0.0007854 0.361158 0.41186
3129 0.07373 2.33489e-07 7.5433e-14 0.00111026 0.27254 0.310594
3230 0 0 0 0 0.13788 0.156887
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