From 28d9a8a2867833d58d24b9125176789bc75d259b Mon Sep 17 00:00:00 2001 From: Mikkel Strange <mikst@fysik.dtu.dk> Date: Wed, 12 Jul 2017 11:38:58 +0200 Subject: [PATCH] use ulm io --- parser/parser-gpaw/parser2.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/parser/parser-gpaw/parser2.py b/parser/parser-gpaw/parser2.py index e8aedcd..db46bb8 100644 --- a/parser/parser-gpaw/parser2.py +++ b/parser/parser-gpaw/parser2.py @@ -4,7 +4,7 @@ from contextlib import contextmanager import numpy as np from ase import units from ase.data import chemical_symbols -from ase.io.aff import affopen +from ase.io.ulm import ulmopen from ase.utils import basestring #from ase.io.trajectory import read_atoms from ase.data import atomic_masses @@ -44,7 +44,7 @@ metaInfoEnv, warns = loadJsonFile(filePath=metaInfoPath, def parse(filename): p = JsonParseEventsWriterBackend(metaInfoEnv) o = open_section - r = affopen(filename) # Reader(filename) + r = ulmopen(filename) # Reader(filename) p.startedParsingSession(filename, parser_info) parms.update(r.parameters.asdict()) with o(p, 'section_run'): -- GitLab