Skip to content

Commit

Permalink
fix typing; beta unicode
Browse files Browse the repository at this point in the history
  • Loading branch information
htz1992213 committed Nov 12, 2021
1 parent 2389b65 commit f4ab5fb
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions mdgo/core.py
Original file line number Diff line number Diff line change
Expand Up @@ -117,7 +117,7 @@ def __init__(
else:
self.select_dict = select_dict
self.nvt_steps = self.wrapped_run.trajectory.n_frames
self.time_array = [i * self.time_step for i in range(self.nvt_steps - self.nvt_start)]
self.time_array = np.array([i * self.time_step for i in range(self.nvt_steps - self.nvt_start)])
self.cation_name = cation_name
self.anion_name = anion_name
self.cation_charge = cation_charge
Expand Down Expand Up @@ -361,7 +361,7 @@ def get_conductivity(self, start: int = -1, end: int = -1) -> float:
time_units = "tau"
print("Start of linear fitting regime: {} ({} {})".format(start, self.time_array[start], time_units))
print("End of linear fitting regime: {} ({} {})".format(end, self.time_array[end], time_units))
print("Beta value (fit to MSD = t^beta): {} (beta = 1 in the diffusive regime)".format(beta))
print("Beta value (fit to MSD = t^\u03B2): {} (\u03B2 = 1 in the diffusive regime)".format(beta))
cond = conductivity_calculator(
self.time_array, self.cond_array, self.nvt_v, self.name, start, end, self.temp, self.units
)
Expand Down

0 comments on commit f4ab5fb

Please sign in to comment.