From dbd3a4d7837651aa2242543cb28007d3ea9b5240 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Tue, 28 Jun 2016 15:28:11 -0400 Subject: [PATCH] Add support for atom style variable values --- python/lammps.py | 15 +++++++++------ 1 file changed, 9 insertions(+), 6 deletions(-) diff --git a/python/lammps.py b/python/lammps.py index 7ce02923f9..4a21e63e37 100644 --- a/python/lammps.py +++ b/python/lammps.py @@ -306,18 +306,21 @@ class OutputCapture(object): class Variable(object): def __init__(self, lammps_wrapper_instance, name, style, definition): - self.lmp = lammps_wrapper_instance + self.wrapper = lammps_wrapper_instance self.name = name self.style = style self.definition = definition.split() @property def value(self): - value = self.lmp.print('"${%s}"' % self.name).strip() - try: - return float(value) - except ValueError: - return value + if self.style == 'atom': + return list(self.wrapper.lmp.extract_variable(self.name, "all", 1)) + else: + value = self.wrapper.print('"${%s}"' % self.name).strip() + try: + return float(value) + except ValueError: + return value class AtomList(object):