fix typo about fparam/aparam (#2925)

- fix bug in `Fitting.get_numb_aparam`
- fix bug in `Model.get_numb_param`
- fix bug in `make_fparam_from_compute` (interface to lammps)

deepmd/fit/dos.py

@@ -168,7 +168,7 @@ def get_numb_fparam(self) -> int:
 
     def get_numb_aparam(self) -> int:
         """Get the number of atomic parameters."""
-        return self.numb_fparam
+        return self.numb_aparam
 
     def get_numb_dos(self) -> int:
         """Get the number of gridpoints in energy space."""

deepmd/fit/ener.py

@@ -228,7 +228,7 @@ def get_numb_fparam(self) -> int:
 
     def get_numb_aparam(self) -> int:
         """Get the number of atomic parameters."""
-        return self.numb_fparam
+        return self.numb_aparam
 
     def compute_output_stats(self, all_stat: dict, mixed_type: bool = False) -> None:
         """Compute the ouput statistics.

deepmd/model/dos.py

@@ -88,7 +88,7 @@ def get_numb_fparam(self) -> int:
 
     def get_numb_aparam(self) -> int:
         """Get the number of atomic parameters."""
-        return self.numb_fparam
+        return self.numb_aparam
 
     def data_stat(self, data):
         all_stat = make_stat_input(data, self.data_stat_nbatch, merge_sys=False)

deepmd/model/ener.py

@@ -120,7 +120,7 @@ def get_numb_fparam(self) -> int:
 
     def get_numb_aparam(self) -> int:
         """Get the number of atomic parameters."""
-        return self.numb_fparam
+        return self.numb_aparam
 
     def data_stat(self, data):
         all_stat = make_stat_input(data, self.data_stat_nbatch, merge_sys=False)

source/lmp/pair_deepmd.cpp

@@ -227,7 +227,7 @@ void PairDeepMD::make_fparam_from_compute(vector<double> &fparam) {
   } else if (dim_fparam > 1) {
     compute->compute_vector();
     double *cvector = compute->vector;
-    for (int jj = 0; jj < dim_aparam; ++jj) {
+    for (int jj = 0; jj < dim_fparam; ++jj) {
       fparam[jj] = cvector[jj];
     }
   }