# MIT License
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# Copyright (c) 2025 Isacks-Co contributors
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import logging
import numpy as np
log = logging.getLogger(__name__) # Nothing will prob log here?
[docs]
class EquilibriumCondition:
[docs]
@staticmethod
def checkInternalPressureStable(list_of_internal_pressure, tol=1e-3, ):
"""
Used to check if the difference in internal pressure is below threshold.
Returns:
bool: True if the difference is below threshold; False otherwise.
"""
mean_pressure = np.mean(list_of_internal_pressure)
return (np.isclose(mean_pressure, 0, atol=tol))
[docs]
@staticmethod
def checkStable(list_of_values, tol=1e-5):
"""
Used to check if energy oscillates around certain value, then we probably found the equilibrium,
meant to input either a list of MSD values or energy, which unlike internal pressure don't have to oscillate
around 0.
return:
true if the difference is below threshold
false if the difference is above threshold
"""
delta = np.abs(np.max(list_of_values) - np.min(list_of_values))
return delta <= tol