From 5602a0c15b4e1696f0d3cc91a97bdb67b8b9d8c6 Mon Sep 17 00:00:00 2001 From: halvarsu Date: Thu, 10 Aug 2023 10:57:08 +0100 Subject: [PATCH] Remove atoms from MakeLocalEnergy protocol --- ferminet/hamiltonian.py | 2 -- 1 file changed, 2 deletions(-) diff --git a/ferminet/hamiltonian.py b/ferminet/hamiltonian.py index abed7e3..ae1d4d9 100644 --- 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.