Merge branch 'master' into multipledataset

config.toml

@@ -4,3 +4,25 @@ DateForm = "12-30-2006"
 title = "exdatabaseLCPQ"
 DefaultContentLanguage = "en"
 theme = "beautifulhugo"
+[Author]
+#  name = "M. Véril"
+#  email = "user@example.com"
+#  github = "lcpq"
+   twitter = "LCPQ_UMR5626"
+#  reddit = "username"
+#  linkedin = "username"
+#  xing = "username"
+#  stackoverflow = "users/XXXXXXX/username"
+#  snapchat = "username"
+#  instagram = "username"
+#  youtube = "channel/UC3a7Yakg9gk36G3HKDIFaYw"
+#  soundcloud = "username"
+#  spotify = "username"
+#  bandcamp = "username"
+#  itchio = "username"
+#  keybase = "username"
+
+[[menu.main]]
+    name = "One dataset"
+    url = "onedataset"
+    weight = 1

content/_index.md

@@ -15,7 +15,7 @@ Other data are calculated with this quantities With the following equations :
 <div>$$ E_\text{Adia} \simeq \frac{E_{Abs}+E_{Fluo}}{2}\ $$</div>
 <div>$$ E_\text{0-0} \simeq E_\text{Adia}-E_\text{ZPE} $$</div>
 
-[Watch one dataset]({{< ref "onedataset.html" >}})
+{{< figure src="/images/figure-geom-1.png" title="Figure 1" caption="Representation of transition energies and energy differences" >}}
 
 [Watch multiple dataset]({{< ref "multipledataset.html" >}})
 

static/data/abs/water_exp.dat

@@ -6,7 +6,7 @@
 # DOI      : 10.1021/acs.jctc.8b00406
 
 # Initial state            Final state             Energies (eV)
-#######################  #######################   ###############
+#######################  #######################   ############
 # Spin  Number  Symm       Spin  Number  Symm        E_abs
   1     1       A_1        1     1       B_1         7.41
   1     1       A_1        1     1       A_2         9.20