Changes in tests/integration/MolecularDynamics/post/water.ekin [0aae02:4fc0ea]

File:

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

tests/integration/MolecularDynamics/post/water.ekin

@@ -1 +1 @@
 # Step Temperature [K] Temperature [a.u.]
 0       0       0
-1       58.4772 0.000185186
-2       460.38  0.00145794
+1       58.4772 0.000185187
+2       460.379 0.00145794
 3       981.739 0.00310899
 4       1299.18 0.00411426
-5       1266.57 0.00401099
-6       946.918 0.00299871
-7       518.561 0.00164219
-8       170.206 0.00053901
+5       1266.57 0.004011
+6       946.919 0.00299872
+7       518.562 0.00164219
+8       170.207 0.000539013
 9       35.1933 0.000111451
-10      162.27  0.00051388
-11      507.539 0.00160728
-12      940.706 0.00297904
-13      1272.3  0.00402915
+10      162.27  0.000513879
+11      507.542 0.00160729
+12      940.707 0.00297904
+13      1272.31 0.00402916
 14      1318.27 0.00417471
-15      1006.99 0.00318895
-16      479.952 0.00151992
+15      1006.99 0.00318896
+16      479.95  0.00151991
 17      65.9985 0.000209005
 18      58.5834 0.000185523
 19      461.338 0.00146097
-20      984.813 0.00311872
-21      1298.47 0.00411203
-22      1256.9  0.00398038
-23      929.165 0.00294249
-24      498.928 0.00158001
+20      984.812 0.00311872
+21      1298.47 0.00411202
+22      1256.9  0.00398037
+23      929.163 0.00294249
+24      498.929 0.00158002
 25      156.409 0.000495318
 26      32.7667 0.000103766
-27      172.318 0.000545699
+27      172.319 0.000545702
 28      526.098 0.00166605
-29      959.915 0.00303987
+29      959.914 0.00303987
 30      0       0