Exemple #1
0
 def add_arguments(cls, parser):
     RunCommand.add_arguments(parser)
     parser.add_argument('-f', '--maximum-force', default=0.05, type=float,
                         help='Relax internal coordinates.')
     parser.add_argument('--constrain-tags',
                         metavar='T1,T2,...',
                         help='Constrain atoms with tags T1, T2, ...')
     parser.add_argument('-s', '--maximum-stress', type=float,
                         help='Relax unit-cell and internal coordinates.')
Exemple #2
0
 def add_arguments(cls, parser):
     RunCommand.add_arguments(parser)
     parser.add_argument(
         '--interactive-python-session', action='store_true',
         help=argparse.SUPPRESS)