From 4a12ab3c4bd5f4821928244db4d033d7eb33454c Mon Sep 17 00:00:00 2001 From: Edan Bainglass Date: Sun, 18 Feb 2024 11:29:26 +0000 Subject: [PATCH] Fix incorrect arguments to transmission script --- src/aiida_quantum_transport/calculations/transmission.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/aiida_quantum_transport/calculations/transmission.py b/src/aiida_quantum_transport/calculations/transmission.py index 7029c19..390ad58 100644 --- a/src/aiida_quantum_transport/calculations/transmission.py +++ b/src/aiida_quantum_transport/calculations/transmission.py @@ -122,9 +122,9 @@ def prepare_for_submission(self, folder: Folder) -> CalcInfo: parameters_filename, "--los-indices-filepath", los_indices_filepath, - "--hamiltonian-ii-filepath", - leads_nao_filepath, "--leads-nao-filepath", + leads_nao_filepath, + "--hamiltonian-ii-filepath", hamiltonian_ii_filepath, "--hamiltonian-ij-filepath", hamiltonian_ij_filepath,