File tree Expand file tree Collapse file tree
Expand file tree Collapse file tree Original file line number Diff line number Diff line change 1919 FittingNet ,
2020 NetworkCollection ,
2121)
22- from deepmd .pt .model .network .network import (
23- ResidualDeep ,
24- )
2522from deepmd .pt .model .task .base_fitting import (
2623 BaseFitting ,
2724)
@@ -472,14 +469,10 @@ def _forward_common(
472469 device = descriptor .device ,
473470 ) # jit assertion
474471 if self .mixed_types :
475- atom_property = (
476- self .filter_layers .networks [0 ](xx ) + self .bias_atom_e [atype ]
477- )
472+ atom_property = self .filter_layers .networks [0 ](xx ) + self .bias_atom_e [atype ]
478473 if xx_zeros is not None :
479474 atom_property -= self .filter_layers .networks [0 ](xx_zeros )
480- outs = (
481- outs + atom_property
482- ) # Shape is [nframes, natoms[0], net_dim_out]
475+ outs = outs + atom_property # Shape is [nframes, natoms[0], net_dim_out]
483476 else :
484477 for type_i , ll in enumerate (self .filter_layers .networks ):
485478 mask = (atype == type_i ).unsqueeze (- 1 )
Original file line number Diff line number Diff line change 1010 DescrptSeA ,
1111)
1212from deepmd .pt .model .task .ener import (
13- EnergyFittingNet ,
1413 InvarFitting ,
1514)
1615from deepmd .pt .utils import (
You can’t perform that action at this time.
0 commit comments