Changes in tests/integration/MolecularDynamics/post/methane.ekin [37fe17:4fc0ea]

File:

• tests/integration/MolecularDynamics/post/methane.ekin (modified) (1 diff)

tests/integration/MolecularDynamics/post/methane.ekin

@@ -1 +1 @@
 # Step Temperature [K] Temperature [a.u.]
 0       0       0
-1       0.000863349     2.73407e-09
+1       0.000863351     2.73407e-09
 2       0.00727496      2.30384e-08
-3       0.0176718       5.59635e-08
-4       0.0281436       8.91256e-08
-5       0.03481 1.10237e-07
-6       0.0353156       1.11838e-07
-7       0.0297229       9.4127e-08
+3       0.0176719       5.59635e-08
+4       0.0281436       8.91255e-08
+5       0.0348099       1.10237e-07
+6       0.0353158       1.11838e-07
+7       0.029723        9.41274e-08
 8       0.0204576       6.47853e-08
-9       0.0113366       3.5901e-08
+9       0.0113367       3.59012e-08
 10      0.00606215      1.91977e-08
-11      0.00676705      2.143e-08
-12      0.0131818       4.17442e-08
-13      0.0227414       7.20178e-08
-14      0.0315921       1.00046e-07
-15      0.0361049       1.14337e-07
+11      0.00676706      2.143e-08
+12      0.0131817       4.17441e-08
+13      0.0227414       7.20177e-08
+14      0.0315922       1.00047e-07
+15      0.0361049       1.14338e-07
 16      0.0343052       1.08638e-07
 17      0.0266637       8.4439e-08
-18      0.0159336       5.04589e-08
+18      0.0159337       5.0459e-08
 19      0.00609691      1.93078e-08
 20      0.000826957     2.61882e-09
 21      0.0020693       6.55309e-09
-22      0.00929371      2.94315e-08
-23      0.01971 6.24178e-08
-24      0.0293593       9.29754e-08
-25      0.0346519       1.09736e-07
-26      0.0337482       1.06874e-07
-27      0.0272468       8.62856e-08
-28      0.0179175       5.67414e-08
-29      0.00959432      3.03834e-08
+22      0.00929375      2.94316e-08
+23      0.01971 6.2418e-08
+24      0.0293594       9.29757e-08
+25      0.034652        1.09737e-07
+26      0.0337483       1.06875e-07
+27      0.0272467       8.62853e-08
+28      0.0179175       5.67416e-08
+29      0.00959431      3.03834e-08
 30      0       0