update doc

wanghan-iapcm · Feb 6, 2024 · 903923f · 903923f
1 parent c02b22c
commit 903923f
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/deepmd/dpmodel/output_def.py b/deepmd/dpmodel/output_def.py
@@ -165,10 +165,13 @@ class OutputVariableDef:
     r_differentiable
           If the variable is differentiated with respect to coordinates
           of atoms. Only reduciable variable are differentiable.
+          Negative derivative w.r.t. coordinates will be calcualted. (e.g. force)
     c_differentiable
           If the variable is differentiated with respect to the
           cell tensor (pbc case). Only reduciable variable
           are differentiable.
+          Virial, the transposed negative gradient with cell tensor times
+          cell tensor, will be calculated, see eq 40 JCP 159, 054801 (2023).
     category : int
           The category of the output variable.
     """