From 9fb4b6319d59f335a36828051d060f41e8287132 Mon Sep 17 00:00:00 2001 From: Mikkel Strange Date: Tue, 25 Oct 2016 11:03:02 +0200 Subject: [PATCH] small fix --- parser/parser-asap/parser_asap.py | 1 - 1 file changed, 1 deletion(-) diff --git a/parser/parser-asap/parser_asap.py b/parser/parser-asap/parser_asap.py index 2cde0f9..8f0a99e 100644 --- a/parser/parser-asap/parser_asap.py +++ b/parser/parser-asap/parser_asap.py @@ -104,7 +104,6 @@ def parse(filename): c(f.get_forces(apply_constraint=False), 'eV/angstrom')) with o(p, 'section_sampling_method'): - ds = t.description ensemble_type = 'NVE' # default ensemble_type if ds: # if there is a traj.description if 'timestep' in ds: # timestep in MD -- GitLab