Check Hamiltonians are hermitian

impurityModel/ed/finite.py

@@ -287,6 +287,10 @@ def daggerOp(op):
     return opDagger
 
 
+def assert_hermitian(op: dict[tuple, int | float | complex]):
+    assert daggerOp(op) == op
+
+
 def get_basis(nBaths, valBaths, dnValBaths, dnConBaths, dnTol, n0imp):
     """
     Return restricted basis of product states.

impurityModel/ed/get_spectra.py

@@ -15,7 +15,7 @@
 # Local stuff
 from impurityModel.ed import finite, spectra
 from impurityModel.ed.average import k_B
-from impurityModel.ed.finite import c2i
+from impurityModel.ed.finite import assert_hermitian, c2i
 
 
 def main(
@@ -413,6 +413,8 @@ def get_hamiltonian_operator(nBaths, nValBaths, slaterCondon, SOCs, DCinfo, hFie
     hOp = {}
     for process, value in hOperator.items():
         hOp[tuple((c2i(nBaths, spinOrb), action) for spinOrb, action in process)] = value
+
+    assert_hermitian(hOp)
     return hOp
 
 

impurityModel/ed/get_spectra_using_CF.py

@@ -15,7 +15,7 @@
 # Local stuff
 from impurityModel.ed import finite, spectra
 from impurityModel.ed.average import k_B
-from impurityModel.ed.finite import c2i
+from impurityModel.ed.finite import assert_hermitian, c2i
 
 
 def main(
@@ -425,6 +425,8 @@ def get_hamiltonian_operator_using_CF(
     hOp = {}
     for process, value in hOperator.items():
         hOp[tuple((c2i(nBaths, spinOrb), action) for spinOrb, action in process)] = value
+
+    assert_hermitian(hOp)
     return hOp
 
 

impurityModel/test/test_h0.py

@@ -1,6 +1,7 @@
 import os
 from glob import glob
 
+from impurityModel.ed.finite import assert_hermitian
 from impurityModel.ed.get_spectra import read_pickled_file
 
 DIR_PATH = os.path.dirname(os.path.realpath(__file__))
@@ -36,6 +37,7 @@ def sanity_check_non_interacting_hamiltonian(h0: dict[tuple, complex], nBaths: d
     nBaths:
         angular momentum: number of bath states coupled to the correlated orbitals with this angular momentum.
     """
+    assert_hermitian(h0)
     for process, value in h0.items():
         assert isinstance(value, complex)
         assert len(process) == 2  # two events in non-interacting Hamiltonian