Increase the lmax in Phagen.

The lmax value is increased from 50 to 80 (for very high energies)
2023-12-01 10:22:06 +01:00 · 2023-12-01 10:22:06 +01:00 · 44b424e3c6
parent af72a764e5
commit 44b424e3c6
2 changed files with 2 additions and 2 deletions
--- a/src/msspec/phagen/fortran/phagen_2.2_dp/msxas3.inc
+++ b/src/msspec/phagen/fortran/phagen_2.2_dp/msxas3.inc
@ -28,7 +28,7 @@ c
      integer fl_, rdx_
 c
      parameter ( rdx_     =  1600,
-     $            lmax_    =  50,
+     $            lmax_    =  80,
     $            npss     =  lmax_ + 2,
     $            fl_       =  2*npss + 1,
     $            nef_     =  10,
--- a/src/msspec/phagen/fortran/phagen_2.2_dp/phagen_scf_2.2_dp.f
+++ b/src/msspec/phagen/fortran/phagen_2.2_dp/phagen_scf_2.2_dp.f
@ -14625,7 +14625,7 @@ c      check = .true.
 !
      do
 !
-        if ( r_real ( i ) > r_in ) then
+        if (( r_real ( i ) > r_in ) .or. ( i .ge. size(r_real) )) then

          exit