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Increase the lmax in Phagen. 

The lmax value is increased from 50 to 80 (for very high energies)
This commit is contained in:
Sylvain Tricot 2023-12-01 10:22:06 +01:00
parent af72a764e5
commit 44b424e3c6
2 changed files with 2 additions and 2 deletions
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2
src/msspec/phagen/fortran/phagen_2.2_dp/msxas3.inc
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@ -28,7 +28,7 @@ c
integer fl_, rdx_ integer fl_, rdx_
c c
parameter ( rdx_ = 1600, parameter ( rdx_ = 1600,
$ lmax_ = 50, $ lmax_ = 80,
$ npss = lmax_ + 2, $ npss = lmax_ + 2,
$ fl_ = 2*npss + 1, $ fl_ = 2*npss + 1,
$ nef_ = 10, $ nef_ = 10,

2
src/msspec/phagen/fortran/phagen_2.2_dp/phagen_scf_2.2_dp.f
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@ -14625,7 +14625,7 @@ c check = .true.
! !
do do
! !
if ( r_real ( i ) > r_in ) then if (( r_real ( i ) > r_in ) .or. ( i .ge. size(r_real) )) then
exit exit