Correlated Averages Reader

Read correlation functions from fix ave/correlate and fix ave/correlate/long commands.

/opt/hostedtoolcache/Python/3.12.4/x64/lib/python3.12/site-packages/pylimer_tools/io/read_lammps_output_file.py:346: FutureWarning: errors='ignore' is deprecated and will raise in a future version. Use to_numeric without passing `errors` and catch exceptions explicitly instead
  correlated_data = correlated_data.apply(pd.to_numeric, errors="ignore")

import os

from pylimer_tools.io.read_lammps_output_file import read_correlation_file

correlation_file = os.path.join(
    os.getcwd(),
    "../..",
    "tests/pylimer_tools/fixtures/example_correlation_file.out.corr.txt",
)

# Read correlation data
correlation_data = read_correlation_file(correlation_file)

# Access correlation data by timestep
last_timestep = correlation_data["Timestep"].max()
last_correlation = correlation_data[correlation_data["Timestep"]
                                    == last_timestep]

_ = last_correlation.plot(
    x="Time", y=[
        "c_pA1*c_pA1", "c_pA2*c_pA2", "c_pA3*c_pA3"])