def is_complete(self):
"""Check if all images in a VASP NEB calculation are complete.
"""
dirname = self.keywords['name']
numim = int(self.keywords['program_keys']['mast_neb_settings']['images'])
imct=1
while imct <= numim:
num_str = str(imct).zfill(2)
impath = os.path.join(dirname, num_str)
singlechecker=VaspChecker(name=impath,program_keys=self.keywords['program_keys'],structure=self.keywords['structure'])
if not singlechecker.is_complete():
return False
imct = imct + 1
return True
def is_complete(self):
"""Check if all images in a VASP NEB calculation are complete.
"""
dirname = self.keywords['name']
numim = int(
self.keywords['program_keys']['mast_neb_settings']['images'])
imct = 1
while imct <= numim:
num_str = str(imct).zfill(2)
impath = os.path.join(dirname, num_str)
singlechecker = VaspChecker(
name=impath,
program_keys=self.keywords['program_keys'],
structure=self.keywords['structure'])
if not singlechecker.is_complete():
return False
imct = imct + 1
return True
