Skip to content

Commit 778af5b

Browse files
committed
add doc for atomic_weight
1 parent ad063bd commit 778af5b

File tree

2 files changed

+6
-0
lines changed

2 files changed

+6
-0
lines changed

deepmd/dpmodel/atomic_model/base_atomic_model.py

Lines changed: 3 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -171,6 +171,9 @@ def forward_common_atomic(
171171
frame parameters, shape: nf x dim_fparam
172172
aparam
173173
atomic parameter, shape: nf x nloc x dim_aparam
174+
atomic_weight
175+
atomic weights for scaling outputs, shape: nf x nloc x dim_aw
176+
if provided, all output values will be multiplied by this weight.
174177
175178
Returns
176179
-------

deepmd/pt/model/atomic_model/base_atomic_model.py

Lines changed: 3 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -227,6 +227,9 @@ def forward_common_atomic(
227227
atomic parameter, shape: nf x nloc x dim_aparam
228228
comm_dict
229229
The data needed for communication for parallel inference.
230+
atomic_weight
231+
atomic weights for scaling outputs, shape: nf x nloc x dim_aw
232+
if provided, all output values will be multiplied by this weight.
230233
231234
Returns
232235
-------

0 commit comments

Comments
 (0)