From dc479a1bf1eb7a81bafea4bb17758cee837b07f8 Mon Sep 17 00:00:00 2001 From: Tan Le Date: Fri, 6 Dec 2024 09:46:05 +0800 Subject: [PATCH] attr fix --- src/qibochem/driver/molecule.py | 1 + 1 file changed, 1 insertion(+) diff --git a/src/qibochem/driver/molecule.py b/src/qibochem/driver/molecule.py index 1a5b591..afd5431 100644 --- a/src/qibochem/driver/molecule.py +++ b/src/qibochem/driver/molecule.py @@ -71,6 +71,7 @@ class Molecule: n_active_e = attr.ib(default=0, validator=attr.validators.instance_of(int)) n_active_orbs = attr.ib(default=0, validator=attr.validators.instance_of(int)) + #Runs after init, formerly the _process_xyz_file function def __attrs_post_init__(self): """ Reads a .xyz file to obtain and set the molecular coordinates (in OpenFermion format),