Remove atoms from MakeLocalEnergy protocol

google-deepmind · Aug 10, 2023 · 5602a0c · 5602a0c
1 parent e29145a
commit 5602a0c
Showing 1 changed file with 0 additions and 2 deletions.
diff --git a/ferminet/hamiltonian.py b/ferminet/hamiltonian.py
@@ -50,7 +50,6 @@ class MakeLocalEnergy(Protocol):
   def __call__(
       self,
       f: networks.FermiNetLike,
-      atoms: jnp.ndarray,
       charges: jnp.ndarray,
       nspins: Sequence[int],
       use_scan: bool = False,
@@ -62,7 +61,6 @@ def __call__(
     Args:
       f: Callable which evaluates the sign and log of the magnitude of the
         wavefunction.
-      atoms: atomic positions.
       charges: nuclear charges.
       nspins: Number of particles of each spin.
       use_scan: Whether to use a `lax.scan` for computing the laplacian.