Final Energy Output May be Omitted

[LSchwiebert]

Describe the bug

Unless the total number of steps is evenly divisible by the Console Output Frequency, the final energy of the simulation will not be output.

To Reproduce

Adjust any configuration file so that the Console Output Frequency is, say, 10000 and then run for 500 steps.

Expected behavior

We should always output the final energies, moves, and statistics at the end of the simulation, regardless of the number of steps in the system.

Screenshots

Relevant information from the beginning of the simulation to show the appropriate settings used for the example:
Info: Total number of steps 500
Info: Number of equilibration steps 200
Info: Move adjustment frequency 100
...
Info: Console output frequency 100000

Final output of the log file:
Opening DCD coordinate file: SPCE_prod_BOX_0.dcd
Opening DCD coordinate file: SPCE_prod_BOX_1.dcd
Writing DCD coordinate to file SPCE_prod_BOX_0.dcd at step 1
Finished writing DCD coordinate to file SPCE_prod_BOX_0.dcd at step 1
Writing DCD coordinate to file SPCE_prod_BOX_1.dcd at step 1
Finished writing DCD coordinate to file SPCE_prod_BOX_1.dcd at step 1
Printed combined psf to file SPCE_prod_merged.psf
Simulation Time (total): 1.29500413e+00 sec.

Move Type Mol. Kind BOX_0 BOX_1
...

(Note; No console output printed from shortly after the start of the simulation until the total execution time is printed.

Input files

N/A Will happen with any valid configuration with a small number of steps.

Please complete the following information:

• OS: Any
• Ensemble: Any
• Code version: Latest development branch (2.80 staging branch). Expect the same for earlier branches.

Additional context

N/A