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Resolve "add ensemble specific data to data container"

Mattias Ångqvist requested to merge 204-add-ensemble-specific-data-to-data-container-2 into master

Now we add some ensemble data.

Demo

>>> python3 examples/semi_grand_canonical_simulation.py
Acceptance ratio 0.13
    Al count  Ga count    energy  mctrial  temperature
0       13.0      14.0  1.200000        0        100.0
1       15.0      12.0  0.948148        2        100.0
2       15.0      12.0  0.948148        4        100.0
3       15.0      12.0  0.948148        6        100.0
4       16.0      11.0  0.933333        8        100.0
5       16.0      11.0  0.933333       10        100.0
6       18.0       9.0  1.051852       12        100.0
7       18.0       9.0  1.051852       14        100.0
8       18.0       9.0  1.051852       16        100.0
9       19.0       8.0  1.214815       18        100.0
10      19.0       8.0  1.214815       20        100.0
11      19.0       8.0  1.214815       22        100.0
12      20.0       7.0  1.214815       24        100.0
13      20.0       7.0  1.214815       26        100.0
14      20.0       7.0  1.214815       28        100.0
15      21.0       6.0  1.214815       30        100.0

Closes #204 (closed)

Edited by Mattias Ångqvist

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