update dp3.0.0 dpa2 model

QuantumMisaka · QuantumMisaka · commit c94914cccb44 · 2024-08-26T10:45:45.000+08:00
diff --git a/ase-dp/neb2sella_dp.py b/ase-dp/neb2sella_dp.py
@@ -23,7 +23,7 @@
 
 from deepmd.calculator import DP
 
-model = "FeCHO-dpa210-30656.pt"
+model = "FeCHO-dpa220-100-30656.pt"
 n_neb_images = 8
 neb_fmax = 1.00  # neb should be rough
 sella_fmax = 0.05 # sella use neb guess
diff --git a/ase-dp/relax_dp.py b/ase-dp/relax_dp.py
@@ -7,7 +7,7 @@
 from deepmd.calculator import DP
 
 # setting
-model = "FeCHO-dpa2-full.pt"
+model = "FeCHO-dpa220-100-30656.pt"
 optimizer = BFGS
 omp = 4
 out_traj = "relax.traj"
