diff options
| -rwxr-xr-x | src/Energy_Calculator.f90 | 2 | ||||
| -rw-r--r--[-rwxr-xr-x] | src/Magnetization_Path.f90 | 7 |
2 files changed, 7 insertions, 2 deletions
diff --git a/src/Energy_Calculator.f90 b/src/Energy_Calculator.f90 index 1548baf..81dcdd1 100755 --- a/src/Energy_Calculator.f90 +++ b/src/Energy_Calculator.f90 @@ -862,7 +862,7 @@ MODULE Energy_Calculator ISYM=0 ITOL=1 TOL=FEMTolerance - ITMAX=4000 + ITMAX=40000 IUNIT=0 ! Solve grad^2 fx = totfx for fx, with boundary condition fx(NNODE) = 0 diff --git a/src/Magnetization_Path.f90 b/src/Magnetization_Path.f90 index 7583bc0..098b302 100755..100644 --- a/src/Magnetization_Path.f90 +++ b/src/Magnetization_Path.f90 @@ -1500,6 +1500,11 @@ CONTAINS IF ((sp < -1.0) .or. (sp > 1.0)) THEN WRITE(*,*) "WARNING: 'sp' value is out of range: ", sp ! Some code here to clamp 'sp' to [-1,1]?? + IF (sp > 1.0) THEN + sp = 1.0 + ELSEIF (sp < -1.0) THEN + sp = -1.0 + ENDIF ENDIF IF ( abs(sp-1.0) < sp_eps) THEN ! parallel : no change @@ -1986,7 +1991,7 @@ CONTAINS BestF=OldTarget call RefinePathTo(PathN) ! Resets the path to equidistant structures (smoothing kinks?) PathChangedQ(:)=.TRUE. - if(ResetCnt>20) then + if(ResetCnt>50) then write(*,*) '+++++ FAILED TO CONVERGE +++++' goto 100 endif |