AveTime class
The base class AveTime
defined some method including read the data
Examples:
>>> from postmd.avetime import AveTime
>>> myavetime = AveTime()
---------------- System Properties --------------
Temperature: 298.0 K
Timestep: 1.0 fs
-------------------------------------------------
>>> myavetime.set_path(r"./tests/data/ave_time.dat")
You are processing the file: './tests/data/ave_time.dat'
>>> df = myavetime.read_file()
You are processing the file: './tests/data/ave_time.dat'
>>> df.head()
TimeStep c_jVz c_jQzIon c_jQzNa c_jVzIon c_jVzAvg c_jVzAvg_spce
0 10000 17021.600 111.1920 111.1920 111.1920 71.21990 71.3517
1 20000 -527.274 14.2479 14.2479 14.2479 -2.20617 -2.2849
2 30000 3750.990 42.8537 42.8537 42.8537 15.69450 15.6462
3 40000 4519.150 95.6945 95.6945 95.6945 18.90860 18.6644
4 50000 9854.170 30.8659 30.8659 30.8659 41.23080 41.4485