From 53c7aeec49b269203eb76e0d16532cf8d7ed05c1 Mon Sep 17 00:00:00 2001 From: Chris Sewell Date: Fri, 21 Jun 2019 06:40:57 +0100 Subject: [PATCH] move import to top of file --- aiida_lammps/common/raw_parsers.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/aiida_lammps/common/raw_parsers.py b/aiida_lammps/common/raw_parsers.py index 7870b3e..dba88fc 100644 --- a/aiida_lammps/common/raw_parsers.py +++ b/aiida_lammps/common/raw_parsers.py @@ -1,3 +1,4 @@ +import mmap import re import numpy as np import six @@ -72,7 +73,6 @@ def parse_dynaphopy_output(file): def read_lammps_forces(file_name): - import mmap # Time in picoseconds # Coordinates in Angstroms @@ -281,11 +281,12 @@ def read_lammps_trajectory_txt(data_txt, def read_lammps_trajectory(file_name, limit_number_steps=100000000, initial_cut=1, end_cut=None, - timestep=1, log_warning_func=six.print_): + timestep=1, log_warning_func=None): """ should be used with: `dump name all custom n element x y z q`, where q is optional """ - import mmap + if log_warning_func is None: + log_warning_func = six.print_ # Time in picoseconds # Coordinates in Angstroms @@ -409,7 +410,6 @@ def read_lammps_trajectory(file_name, def read_lammps_positions_and_forces(file_name): - import mmap # Time in picoseconds # Coordinates in Angstroms