Candidate_v1.6.1
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Last change
on this file was 4fc0ea, checked in by Frederik Heber <frederik.heber@…>, 7 years ago |
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TESTFIX: Changes to various regression and Python tests because of modified output precision.
- basically needed to change all .data files diff'ed against in tests.
- TESTS: Removed XFAIL from all tests marked earlier as such.
- TESTS: for the MolecularDynamics integration tests the ekin files have
slightly changed but only in the last digits (typical relative error of
1e-5 at most).
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-
Property mode
set to
100644
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File size:
650 bytes
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| Line | |
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| 1 | # Step Temperature [K] Temperature [a.u.]
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| 2 | 0 0 0
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| 3 | 1 1578.89 0.00500004
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| 4 | 2 12430.2 0.0393643
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| 5 | 3 26507 0.0839426
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| 6 | 4 35077.8 0.111085
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| 7 | 5 34197.5 0.108297
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| 8 | 6 25566.8 0.0809654
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| 9 | 7 14001.2 0.0443391
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| 10 | 8 4595.58 0.0145533
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| 11 | 9 950.219 0.00300917
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| 12 | 10 4381.29 0.0138747
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| 13 | 11 13703.6 0.0433968
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| 14 | 12 25399.1 0.0804342
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| 15 | 13 34352.3 0.108787
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| 16 | 14 35593.2 0.112717
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| 17 | 15 27188.8 0.0861018
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| 18 | 16 12958.7 0.0410377
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| 19 | 17 1781.96 0.00564314
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| 20 | 18 1581.75 0.00500911
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| 21 | 19 12456.1 0.0394463
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| 22 | 20 26589.9 0.0842054
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| 23 | 21 35058.7 0.111024
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| 24 | 22 33936.3 0.10747
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| 25 | 23 25087.4 0.0794472
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| 26 | 24 13471.1 0.0426605
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| 27 | 25 4223.04 0.0133736
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| 28 | 26 884.701 0.00280169
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| 29 | 27 4652.61 0.014734
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| 30 | 28 14204.6 0.0449835
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| 31 | 29 25917.7 0.0820765
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| 32 | 30 0 0
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