feat: add dice input generation and player routines for NVT/NPT simulations

diceplayer/config/dice_config.py

@@ -29,6 +29,13 @@ class DiceConfig(BaseModel):
     upbuf: int = Field(
         360, description="Buffer size for the potential energy calculations"
     )
+    irdf: int = Field(
+        0,
+        description="Flag for calculating radial distribution functions (0: no, 1: yes)",
+    )
+    vstep: int = Field(
+        5000, description="Frequency of volume change moves in NPT simulations"
+    )
     combrule: Literal["+", "*"] = Field(
         "*", description="Combination rule for the Lennard-Jones potential"
     )