File: __init__.py

package info (click to toggle)
python-ase 3.26.0-2
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 15,484 kB
  • sloc: python: 148,112; xml: 2,728; makefile: 110; javascript: 47
file content (22 lines) | stat: -rw-r--r-- 770 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
# fmt: off

"""Structure optimization. """

from ase.optimize.bfgs import BFGS
from ase.optimize.bfgslinesearch import BFGSLineSearch
from ase.optimize.cellawarebfgs import CellAwareBFGS
from ase.optimize.fire import FIRE
from ase.optimize.fire2 import FIRE2
from ase.optimize.gpmin.gpmin import GPMin
from ase.optimize.lbfgs import LBFGS, LBFGSLineSearch
from ase.optimize.mdmin import MDMin
from ase.optimize.ode import ODE12r
from ase.optimize.oldqn import GoodOldQuasiNewton
from ase.optimize.optimize import RestartError

QuasiNewton = BFGSLineSearch

__all__ = ['MDMin', 'FIRE', 'FIRE2', 'LBFGS',
           'LBFGSLineSearch', 'BFGSLineSearch', 'BFGS',
           'GoodOldQuasiNewton', 'QuasiNewton', 'GPMin',
           'CellAwareBFGS', 'ODE12r', 'RestartError']