Candidate_v1.7.0
stable
|
Last change
on this file since 1ca493a was 4fc0ea, checked in by Frederik Heber <frederik.heber@…>, 8 years ago |
|
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).
|
-
Property mode
set to
100644
|
|
File size:
688 bytes
|
| Line | |
|---|
| 1 | # Step Temperature [K] Temperature [a.u.]
|
|---|
| 2 | 0 0 0
|
|---|
| 3 | 1 58.4772 0.000185187
|
|---|
| 4 | 2 460.379 0.00145794
|
|---|
| 5 | 3 981.739 0.00310899
|
|---|
| 6 | 4 1299.18 0.00411426
|
|---|
| 7 | 5 1266.57 0.004011
|
|---|
| 8 | 6 946.919 0.00299872
|
|---|
| 9 | 7 518.562 0.00164219
|
|---|
| 10 | 8 170.207 0.000539013
|
|---|
| 11 | 9 35.1933 0.000111451
|
|---|
| 12 | 10 162.27 0.000513879
|
|---|
| 13 | 11 507.542 0.00160729
|
|---|
| 14 | 12 940.707 0.00297904
|
|---|
| 15 | 13 1272.31 0.00402916
|
|---|
| 16 | 14 1318.27 0.00417471
|
|---|
| 17 | 15 1006.99 0.00318896
|
|---|
| 18 | 16 479.95 0.00151991
|
|---|
| 19 | 17 65.9985 0.000209005
|
|---|
| 20 | 18 58.5834 0.000185523
|
|---|
| 21 | 19 461.338 0.00146097
|
|---|
| 22 | 20 984.812 0.00311872
|
|---|
| 23 | 21 1298.47 0.00411202
|
|---|
| 24 | 22 1256.9 0.00398037
|
|---|
| 25 | 23 929.163 0.00294249
|
|---|
| 26 | 24 498.929 0.00158002
|
|---|
| 27 | 25 156.409 0.000495318
|
|---|
| 28 | 26 32.7667 0.000103766
|
|---|
| 29 | 27 172.319 0.000545702
|
|---|
| 30 | 28 526.098 0.00166605
|
|---|
| 31 | 29 959.914 0.00303987
|
|---|
| 32 | 30 0 0
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
