From 4e07b094018168341db6f92a56b5d26093ac82e3 Mon Sep 17 00:00:00 2001
From: Guillaume Raffy <guillaume.raffy@univ-rennes1.fr>
Date: Tue, 6 Jun 2023 10:15:25 +0200
Subject: [PATCH] fix to suit mzoltowski's data coming from hibridon

---
 cs_adiabats_2.f90 |  7 ++++---
 readme.md         | 10 ++++++++--
 2 files changed, 12 insertions(+), 5 deletions(-)

diff --git a/cs_adiabats_2.f90 b/cs_adiabats_2.f90
index 3dff8fa..980d4ef 100644
--- a/cs_adiabats_2.f90
+++ b/cs_adiabats_2.f90
@@ -134,7 +134,7 @@ program findmax
   nlevuniq=0
   do i=1,nlevtot
     write (6,*) 'i = ', i
-    read(9,*) sigidx(i),jH2O(i),tau2(i),bid, bid,jCO(i),E_lev(i)  
+    read(9,*) sigidx(i),jH2O(i),tau2(i),bid, bid,jCO(i),E_lev(i)  ! hibridon's output format 
     write (6,*) 'sigidx = ', sigidx(i)          
     if (sigidx(i).ne.sigidx(i-1)) then
       nlevuniq=nlevuniq+1
@@ -151,9 +151,9 @@ program findmax
   jbmax=maxval(jb)
 
   do jai=0,5
-    taumax=2*jai+1
+    !  taumax=2*jai+1
     ! print*, "taumax=",taumax
-    do taui=1,taumax
+    do taui=-4,4,2  ! for mzoltowski
       do jbi = 0,10
         ! print*, jai,taui,jbi
 
@@ -167,6 +167,7 @@ program findmax
         enddo
         print*, "inist=", inist, "with energy", Elev(inist)
         if (inist .ne. 0) then  ! if inist =0, dont do anything (wrong parity)
+          ! stop
           ! print*, "initial state does not exist"
           ! print*, "inist=", inist
 
diff --git a/readme.md b/readme.md
index 7bf7d11..dd67e01 100644
--- a/readme.md
+++ b/readme.md
@@ -9,8 +9,14 @@ inputs: generated from hibridon's job.eadiab and renamed and adapted
 		- 2 second symmetry
 		jtot: total angular momentum number
 	lvls.dat : energy levels of the systems
+
 		31   2   2   2   0   0   136.563
 		<index>   <qnum1>   <qnum2>   <dummy1>  <summy2>    <qnum3>    <energy>
 
-ouputs:
-	cross_<qnum1>_<qnum2>__<qnum3>.dat
\ No newline at end of file
+		bastst=TRUE
+		# J1 IS KP KO J2 Eint(cm-1) Coeffs
+		
+
+outputs:
+	cross_<qnum1>_<qnum2>__<qnum3>.dat
+