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)