Commit d7bfc62d authored by Daniel Speckhard's avatar Daniel Speckhard
Browse files

Commented Trajectory Information.

parent b3f6f3a8
......@@ -27,13 +27,13 @@ from contextlib import contextmanager
from libatomsparser.libLibAtomsParser import *
try:
from libMomo import osio, endl, flush
osio.ConnectToFile('parser.osio.log')
green = osio.mg
except:
osio = endl = flush = None
green = None
# try:
# from libMomo import osio, endl, flush
# osio.ConnectToFile('parser.osio.log')
# green = osio.mg
# except:
osio = endl = flush = None
green = None
parser_info = {
"name": "parser-lib-atoms",
......
......@@ -287,15 +287,15 @@ class LibAtomsGapParser(LibAtomsParser):
node = child_nodes[key][0]
text = XmlGetText(node)
trj_file = 'lib-atoms-gap.from-xml.xyz'
ofs = open(trj_file, 'w')
for child in node.childNodes:
if child.nodeValue == None: continue
ln = child.nodeValue.strip(' \n')
if ln == '': continue
ofs.write(ln+'\n')
ofs.close()
# ofs = open(trj_file, 'w')
# for child in node.childNodes:
# if child.nodeValue == None: continue
# ln = child.nodeValue.strip(' \n')
# if ln == '': continue
# ofs.write(ln+'\n')
# ofs.close()
self.trj = LibAtomsTrajectory(self.log)
self.trj.ParseOutput(trj_file)
# self.trj.ParseOutput(trj_file)
return
class LibAtomsTrajectory(LibAtomsParser):
......@@ -356,11 +356,6 @@ class LibAtomsFrame(LibAtomsParser):
if key in self.ase_config.info:
self.has_virial = True
self.virial = np.array(self.ase_config.info[key])
return
# ===================
......
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