with electronic predissociation iphoto=3 and iomref<0

octavioroncero · Nov 8, 2022 · d4fb1bb · d4fb1bb
1 parent 2e8152b
commit d4fb1bb
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Showing 10 changed files with 894 additions and 41 deletions.
diff --git a/BIN/colmad3.sh b/BIN/colmad3.sh
@@ -7,16 +7,16 @@ pot=../SRC
 
 ######################  compiling modules
 
-      mpif77 -c -O3 $dir/mod_gridYpara_01y2.f
-      mpif77 -c -O3 $dir/mod_pot_01y2.f
-      mpif77 -c -O3 $dir/mod_baseYfunciones_01y2.f
-      mpif77 -c -O3 $dir/mod_Hphi_01y2.f
-      mpif77 -c -O3 $dir/mod_photoini_01y2.f
-      mpif77 -c -O3 $dir/mod_colini_01y2.f
-      mpif77 -c -O3 $dir/mod_absorcion_01y2.f
-      mpif77 -c -O3 $dir/mod_flux_01y2.f
-      mpif77 -c -O3 $dir/mod_coortrans01_02.f
-      mpif77 -c -O3 $dir3/mod_lanczos_01y2.f
+      mpif77 -c  -O3  $dir/mod_gridYpara_01y2.f
+      mpif77 -c  -O3  $dir/mod_pot_01y2.f
+      mpif77 -c  -O3  $dir/mod_baseYfunciones_01y2.f
+      mpif77 -c  -O3  $dir/mod_Hphi_01y2.f
+      mpif77 -c  -O3  $dir/mod_photoini_01y2.f
+      mpif77 -c  -O3  $dir/mod_colini_01y2.f
+      mpif77 -c  -O3  $dir/mod_absorcion_01y2.f
+      mpif77 -c  -O3  $dir/mod_flux_01y2.f
+      mpif77 -c  -O3  $dir/mod_coortrans01_02.f
+      mpif77 -c  -O3  $dir3/mod_lanczos_01y2.f
 
 ######################  mad3.out
 rm mad3.out
@@ -25,25 +25,26 @@ mpif77 -O3 -o mad3.out  mod_colini_01y2.o  mod_Hphi_01y2.o mod_gridYpara_01y2.o\
        mod_pot_01y2.o mod_baseYfunciones_01y2.o mod_photoini_01y2.o \
        mod_absorcion_01y2.o mod_flux_01y2.o mod_coortrans01_02.o\
        $dir/main_madwave3.f $dir/liboctdyn.f \
-       $dir/fit_general.f $dir/dipele_general.f \
+       $dir/fit_general.f $dir/dipele_general.f $dir/coupling_general.f\
  -lfftw3
 ######################  mad3.out
 rm bndgrid.out
 mpif77 -O3  -o bndgrid.out  mod_Hphi_01y2.o mod_gridYpara_01y2.o\
        mod_pot_01y2.o mod_baseYfunciones_01y2.o mod_photoini_01y2.o\
        mod_absorcion_01y2.o mod_lanczos_01y2.o\
        $dir3/main_boundlanz.f $dir/liboctdyn.f $dir3/liboctdynlanz.f \
-       $dir/fit_general.f $dir/dipele_general.f \
+       $dir/fit_general.f $dir/dipele_general.f $dir/coupling_general.f \
  -lfftw3
 
 ######################  distri.out & distriREAC.out
 rm distri.out distriREAC.out
-gfortran  -O3 -o distri.out $dir2/distriwvp.f $dir/liboctdyn.f
+#gfortran  -g -C -o distri.out $dir2/distriwvp.f $dir/liboctdyn.f
+gfortran  -g -C -o distri.out distriwvp.f $dir/liboctdyn.f
 gfortran  -O3 -o distriREAC.out $dir2/distriREACwvp.f $dir/liboctdyn.f
 
 ######################  crp.out & cip.out
 rm cip.out crp.out
-gfortran  -O3 -o crp.out $dir2/CRP-fast.f $dir/liboctdyn.f
+gfortran -g -C -O3 -o crp.out $dir2/CRP-fast.f $dir/liboctdyn.f
 gfortran  -O3 -o cip.out $dir2/CIP-fast.f $dir/liboctdyn.f
 
 ######################  rate.out & rates2s.out
@@ -57,9 +58,9 @@ rm sigma.out
 mpif77  -O3 -o sigma.out $dir2/sigmaFromS2prod.f $dir/liboctdyn.f
 ######################  cheby-spectra.out 
 rm cheby-spectra.out
-mpif77  -O3 -o cheby-spectra.out $dir4/cheby-spectra.f 
+gfortran  -O3 -o cheby-spectra.out $dir4/cheby-spectra.f 
 
-echo "11 executable codes: mad3.out bndgrid.out distri.out  distriREAC.out  crp.out  cip.out inelastic-rates2s.out rate.out rates2s.out sigma.out  cheby-spectra.out"
+echo "11 executable codes: mad3.out bndgrid.out distri.out  distriREAC.out  crp.out  cip.out inelastic-rates2s.out rate.out rates2s.out sigma.out  cheby-spectra.out cheby-spectra.out"
 
 echo "removing *.o and *.mod"
 rm -f *.o *.mod