merge prob_sys_size with prob_sys_size;0:nsys:1.0 (#2963)

to be consistent with Pytorch version

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

deepmd/utils/data_system.py

@@ -195,8 +195,7 @@ def __init__(
         assert isinstance(self.test_size, (list, np.ndarray))
         assert len(self.test_size) == self.nsystems
 
-        # prob of batch, init pick idx
-        self.prob_nbatches = [float(i) for i in self.nbatches] / np.sum(self.nbatches)
+        # init pick idx
         self.pick_idx = 0
 
         # derive system probabilities
@@ -350,11 +349,13 @@ def set_sys_probs(self, sys_probs=None, auto_prob_style: str = "prob_sys_size"):
             if auto_prob_style == "prob_uniform":
                 prob_v = 1.0 / float(self.nsystems)
                 probs = [prob_v for ii in range(self.nsystems)]
-            elif auto_prob_style == "prob_sys_size":
-                probs = self.prob_nbatches
-            elif auto_prob_style[:14] == "prob_sys_size;":
+            elif auto_prob_style[:13] == "prob_sys_size":
+                if auto_prob_style == "prob_sys_size":
+                    prob_style = f"prob_sys_size;0:{self.get_nsystems()}:1.0"
+                else:
+                    prob_style = auto_prob_style
                 probs = prob_sys_size_ext(
-                    auto_prob_style, self.get_nsystems(), self.nbatches
+                    prob_style, self.get_nsystems(), self.nbatches
                 )
             else:
                 raise RuntimeError("Unknown auto prob style: " + auto_prob_style)