Merge pull request #325 from evaleev/loriab-patch-1

AM symbols list
evaleev · Feb 9, 2024 · 2cfca91 · 2cfca91
2 parents 30b824a + f713421
commit 2cfca91
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Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/export/cmake/configuration-gen.py b/export/cmake/configuration-gen.py
@@ -21,7 +21,7 @@
 
 # >>>  End user edit
 
-amstr = "SPDFGHIKLMNOPQRTUVWXYZ"
+amstr = "SPDFGHIKLMNOQRTUVWXYZ"
 components = [orderings]
 
 # multipole

diff --git a/include/libint2/shell.h b/include/libint2/shell.h
@@ -217,7 +217,7 @@ struct Shell {
   /// `l=0`, `p` for `l=1`, etc.
   /// @throw std::invalid_argument if \c l is greater than 19
   static char am_symbol(size_t l) {
-    static char lsymb[] = "spdfghikmnoqrtuvwxyz";
+    static char lsymb[] = "spdfghiklmnoqrtuvwxyz";
     assert(l <= 19);
     return lsymb[l];
   }

diff --git a/src/bin/test_eri/time_eri.cc b/src/bin/test_eri/time_eri.cc
@@ -135,7 +135,7 @@ std::string usage() {
 }
 
 std::string am2label(unsigned int l) {
-  static char labels[] = "spdfghiklmoqrtuvwxyz";
+  static char labels[] = "spdfghiklmnoqrtuvwxyz";
   std::ostringstream oss;
   oss << labels[l];
   return oss.str();