From f4ab5fbb8ef29d406ab91053565aa2ef666b5d21 Mon Sep 17 00:00:00 2001 From: Tingzheng Hou Date: Thu, 11 Nov 2021 16:11:00 -0800 Subject: [PATCH] fix typing; beta unicode --- mdgo/core.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mdgo/core.py b/mdgo/core.py index ec824154..87fc1325 100644 --- a/mdgo/core.py +++ b/mdgo/core.py @@ -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 @@ -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 )