From 44b424e3c67752b3f7274ed6f1de95b2f74cc5c6 Mon Sep 17 00:00:00 2001 From: Sylvain Tricot Date: Fri, 1 Dec 2023 10:22:06 +0100 Subject: [PATCH] Increase the lmax in Phagen. The lmax value is increased from 50 to 80 (for very high energies) --- src/msspec/phagen/fortran/phagen_2.2_dp/msxas3.inc | 2 +- src/msspec/phagen/fortran/phagen_2.2_dp/phagen_scf_2.2_dp.f | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/msspec/phagen/fortran/phagen_2.2_dp/msxas3.inc b/src/msspec/phagen/fortran/phagen_2.2_dp/msxas3.inc index 2151d02..7b5ccac 100644 --- 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, diff --git 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 index 3e0bebb..31665e8 100644 --- 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