From 1be3aca584e4ac57c1320a934065d7be238bea50 Mon Sep 17 00:00:00 2001
From: Eduard Valeyev <eduard@valeyev.net>
Date: Sat, 10 Jan 2026 09:13:31 -0500
Subject: [PATCH 1/2] erfx_coulomb: overdue fixup of
 BOOST_PP_NBODY_OPERATOR_LIST

---
 include/libint2/engine.impl.h | 41 ++++++++++++++++++++---------------
 1 file changed, 23 insertions(+), 18 deletions(-)

diff --git a/include/libint2/engine.impl.h b/include/libint2/engine.impl.h
index e6512574a..2c8970961 100644
--- a/include/libint2/engine.impl.h
+++ b/include/libint2/engine.impl.h
@@ -70,24 +70,29 @@ typename std::remove_all_extents<T>::type* to_ptr1(T (&a)[N]) {
 /// These MUST appear in the same order as in Operator.
 /// You must also update BOOST_PP_NBODY_OPERATOR_LAST_ONEBODY_INDEX when you add
 /// one-body ints
-#define BOOST_PP_NBODY_OPERATOR_LIST \
-  (overlap,                          \
-   (kinetic,                         \
-    (elecpot,                        \
-     (elecpot,                       \
-      (elecpot,                      \
-       (1emultipole,                 \
-        (2emultipole,                \
-         (3emultipole,               \
-          (sphemultipole,            \
-           (opVop,                   \
-            (eri,                    \
-             (eri,                   \
-              (eri,                  \
-               (eri,                 \
-                (eri,                \
-                 (eri,               \
-                  (eri, (eri, (eri, (eri, BOOST_PP_NIL))))))))))))))))))))
+#define BOOST_PP_NBODY_OPERATOR_LIST             \
+  (overlap,                 /* overlap */        \
+   (kinetic,                /* kinetic */        \
+    (elecpot,               /* nuclear */        \
+     (elecpot,              /* erf_nuclear */    \
+      (elecpot,             /* erfc_nuclear */   \
+       (1emultipole,        /* emultipole1 */    \
+        (2emultipole,       /* emultipole2 */    \
+         (3emultipole,      /* emultipole3 */    \
+          (sphemultipole,   /* sphemultipole */  \
+           (opVop,          /* opVop */          \
+            (eri,           /* delta */          \
+             (eri,          /* coulomb */        \
+              (eri,         /* cgtg */           \
+               (eri,        /* cgtg_x_coulomb */ \
+                (eri,       /* delcgtg2 */       \
+                 (eri,      /* r12 */            \
+                  (eri,     /* erf_coulomb */    \
+                   (eri,    /* erfc_coulomb */   \
+                    (eri,   /* erfx_coulomb */   \
+                     (eri,  /* stg */            \
+                      (eri, /* yukawa */         \
+                       BOOST_PP_NIL)))))))))))))))))))))
 
 #define BOOST_PP_NBODY_OPERATOR_INDEX_TUPLE \
   BOOST_PP_MAKE_TUPLE(BOOST_PP_LIST_SIZE(BOOST_PP_NBODY_OPERATOR_LIST))

From f2ebe0f13b237c68dba1c47ab4043fff7a51589d Mon Sep 17 00:00:00 2001
From: Eduard Valeyev <eduard@valeyev.net>
Date: Sat, 10 Jan 2026 14:05:08 -0500
Subject: [PATCH 2/2] Revert "[python] more elaborate enum SHGShellOrdering
 values"

This reverts commit 81819919dd3dd76c8717667d775a4d8a58716381.
---
 python/src/libint2/libint2.cc | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/python/src/libint2/libint2.cc b/python/src/libint2/libint2.cc
index ca4363b77..0bc115cd5 100644
--- a/python/src/libint2/libint2.cc
+++ b/python/src/libint2/libint2.cc
@@ -138,9 +138,9 @@ std::vector<double> coeffs_normalized(const Shell &s) {
 
 PYBIND11_MODULE(libint2, m) {
   py::enum_<SHGShellOrdering>(m, "SHGShellOrdering")
-      .value("SHGShellOrdering_Standard", libint2::SHGShellOrdering_Standard)
-      .value("SHGShellOrdering_Gaussian", libint2::SHGShellOrdering_Gaussian)
-      .value("SHGShellOrdering_MOLDEN", libint2::SHGShellOrdering_Gaussian);
+      .value("Standard", libint2::SHGShellOrdering_Standard)
+      .value("Gaussian", libint2::SHGShellOrdering_Gaussian)
+      .value("MOLDEN", libint2::SHGShellOrdering_Gaussian);
 
   libint2::initialize();