..lint..

william-dawson · Sep 27, 2023 · bc30458 · bc30458
1 parent 2d42b15
commit bc30458
Showing 1 changed file with 32 additions and 32 deletions.
diff --git a/UnitTests/test_solvers.py b/UnitTests/test_solvers.py
@@ -1055,38 +1055,38 @@ def test_svd(self):
  comm.barrier()
  self.check_result()
 
- #def test_estimategap(self):
- # '''Test routines to estimate homo-lumo gap.'''
- # from scipy.linalg import eigh
- # # Starting Matrix
- # H = self.create_matrix(add_gap=True)
- # self.write_matrix(H, self.input_file)
-
- # # Check Matrix
- # vals, _ = eigh(H.todense())
- # nel = int(self.mat_dim/2)
- # gap_gold = vals[nel] - vals[nel - 1]
- # cp = vals[nel - 1] + 0.5 * gap_gold
-
- # # Compute
- # Hmat = nt.Matrix_ps(self.input_file, False)
- # Kmat = nt.Matrix_ps(Hmat.GetActualDimension())
-
- # # Density Part
- # ISQ = nt.Matrix_ps(Hmat.GetActualDimension())
- # ISQ.FillIdentity()
- # SRoutine = nt.DensityMatrixSolvers.TRS4
- # _, _ = SRoutine(Hmat, ISQ, nel, Kmat, self.isp)
-
- # # Estimate Driver
- # gap = nt.EigenSolvers.EstimateGap(Hmat, Kmat, cp, self.isp)
-
- # # Check the value. Threshold has to be lose because of degenerate
- # # eigenvalues near the gap.
- # threshold = 0.5
- # relative_error = abs(gap_gold - gap)
- # global_error = comm.bcast(relative_error, root=0)
- # self.assertLessEqual(global_error, threshold)
+ # def test_estimategap(self):
+ #  '''Test routines to estimate homo-lumo gap.'''
+ #  from scipy.linalg import eigh
+ #  # Starting Matrix
+ #  H = self.create_matrix(add_gap=True)
+ #  self.write_matrix(H, self.input_file)
+
+ #  # Check Matrix
+ #  vals, _ = eigh(H.todense())
+ #  nel = int(self.mat_dim/2)
+ #  gap_gold = vals[nel] - vals[nel - 1]
+ #  cp = vals[nel - 1] + 0.5 * gap_gold
+
+ #  # Compute
+ #  Hmat = nt.Matrix_ps(self.input_file, False)
+ #  Kmat = nt.Matrix_ps(Hmat.GetActualDimension())
+
+ #  # Density Part
+ #  ISQ = nt.Matrix_ps(Hmat.GetActualDimension())
+ #  ISQ.FillIdentity()
+ #  SRoutine = nt.DensityMatrixSolvers.TRS4
+ #  _, _ = SRoutine(Hmat, ISQ, nel, Kmat, self.isp)
+
+ #  # Estimate Driver
+ #  gap = nt.EigenSolvers.EstimateGap(Hmat, Kmat, cp, self.isp)
+
+ #  # Check the value. Threshold has to be lose because of degenerate
+ #  # eigenvalues near the gap.
+ #  threshold = 0.5
+ #  relative_error = abs(gap_gold - gap)
+ #  global_error = comm.bcast(relative_error, root=0)
+ #  self.assertLessEqual(global_error, threshold)
 
 
 class TestSolvers_r(TestSolvers):