Fix printing of estimate gap

william-dawson · Sep 9, 2023 · f348fdf · f348fdf
1 parent b0b2855
commit f348fdf
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Showing 2 changed files with 4 additions and 1 deletion.
diff --git a/Source/Fortran/EigenBoundsModule.F90 b/Source/Fortran/EigenBoundsModule.F90
@@ -161,7 +161,7 @@ SUBROUTINE PowerBounds(this, max_value, solver_parameters_in)
  IF (CheckConverged(params%monitor, params%be_verbose)) THEN
  !! Make sure the two estimates vaguely agree
  IF(ABS(aitken_values(3) - ritz_values(3)) .LT. &
- & params%monitor%loose_cutoff) THEN
+  & params%monitor%loose_cutoff) THEN
  EXIT
  END IF
  END IF

diff --git a/Source/Fortran/EigenSolversModule.F90 b/Source/Fortran/EigenSolversModule.F90
@@ -182,7 +182,10 @@ SUBROUTINE EstimateGap(H, K, chemical_potential, gap, solver_parameters_in)
  !! back to the Gershgorin Bounds
  CALL MatrixMultiply(K, H, KH, &
  & threshold_in = params%threshold, memory_pool_in = pool)
+ CALL WriteElement("Estimate Minimum")
+ CALL EnterSubLog
  CALL PowerBounds(KH, e_min, params)
+ CALL ExitSubLog
  IF (e_min .GT. 0_NTREAL) THEN
  CALL WriteComment("Switching to GershgorinBounds")
  CALL GershgorinBounds(H, e_min, e_max)