fix: siesta non-colinear mode does not work.

mailhexu · Sep 6, 2021 · ee1b664 · ee1b664
1 parent 52c4966
commit ee1b664
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/TB2J/manager.py b/TB2J/manager.py
@@ -333,7 +333,7 @@ def gen_exchange_siesta(fdf_fname,
             f"All calculation finsihed. The results are in {output_path} directory."
         )
 
-    elif H.spin.is_spinorbit:
+    elif H.spin.is_spinorbit or H.spin.is_noncolinear:
 
         print("Reading Siesta hamiltonian: non-colinear spin.")
         tbmodel = SislWrapper(H, spin=None)

diff --git a/TB2J/sisl_wrapper.py b/TB2J/sisl_wrapper.py
@@ -46,7 +46,7 @@ def __init__(self, sisl_hamiltonian, spin=None):
                 self.orb_dict[ia] += orb_names
             self.norb = len(self.orbs)
             self.nbasis = self.norb
-        elif self.ham.spin.is_spinorbit or self.spin == 'merge':
+        elif self.ham.spin.is_spinorbit or self.ham.spin.is_noncolinear or self.spin == 'merge':
             for ia, a in enumerate(_atoms):
                 symnum = sdict[ia]
                 orb_names = []