From f6df3fbcf6cd79f4a27a6159b477d8a65f66259e Mon Sep 17 00:00:00 2001 From: Nick Papior Date: Mon, 25 Nov 2024 15:27:43 +0100 Subject: [PATCH] wrong usage of siesta2sisl Signed-off-by: Nick Papior --- src/sisl/io/siesta/siesta_nc.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/sisl/io/siesta/siesta_nc.py b/src/sisl/io/siesta/siesta_nc.py index e52ea1e907..49a3f4b38b 100644 --- a/src/sisl/io/siesta/siesta_nc.py +++ b/src/sisl/io/siesta/siesta_nc.py @@ -624,7 +624,7 @@ def write_hamiltonian(self, H, **kwargs): _csr_to_siesta(H.geometry, csr) csr.finalize(sort=kwargs.get("sort", True)) - _mat_siesta2sisl(H, dtype=np.float64) + _mat_sisl2siesta(H, dtype=np.float64) # Ensure that the geometry is written self.write_geometry(H.geometry) @@ -683,7 +683,7 @@ def write_density_matrix(self, DM, **kwargs): # Convert to siesta CSR (we don't need to sort this matrix) _csr_to_siesta(DM.geometry, csr) csr.finalize(sort=kwargs.get("sort", True)) - _mat_siesta2sisl(DM, dtype=np.float64) + _mat_sisl2siesta(DM, dtype=np.float64) # Ensure that the geometry is written self.write_geometry(DM.geometry) @@ -741,7 +741,7 @@ def write_energy_density_matrix(self, EDM, **kwargs): # no need to sort this matrix _csr_to_siesta(EDM.geometry, csr) csr.finalize(sort=kwargs.get("sort", True)) - _mat_siesta2sisl(EDM, dtype=np.float64) + _mat_sisl2siesta(EDM, dtype=np.float64) # Ensure that the geometry is written self.write_geometry(EDM.geometry)