We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent bda9c3c commit 66190d7Copy full SHA for 66190d7
src/atomate2/common/flows/approx_neb.py
@@ -44,6 +44,7 @@ class ApproxNebFromEndpointsMaker(Maker):
44
"""
45
46
image_relax_maker: Maker
47
+ name: str = "ApproxNEB single hop from endpoints maker"
48
selective_dynamics_scheme: Literal["fix_two_atoms"] | None = "fix_two_atoms"
49
min_images_per_hop: int | None = 3
50
min_hop_distance: float | bool = True
src/atomate2/vasp/flows/approx_neb.py
@@ -257,6 +257,7 @@ class ApproxNebSingleHopMaker(ApproxNebFromEndpointsMaker):
257
258
259
image_relax_maker: Maker = field(default_factory=ApproxNebImageRelaxMaker)
260
+ name: str = "VASP ApproxNEB single hop from endpoints maker"
261
use_aeccar: bool = False
262
263
def get_charge_density(self, prev_dir: str | Path) -> Chgcar:
0 commit comments