New integrals

sunqm · Mar 21, 2018 · 308cf1c · 308cf1c
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diff --git a/ChangeLog b/ChangeLog
@@ -1,8 +1,14 @@
-Version 3.0.9  (2017-03-08):
+Version 3.0.10  (2018-03-20):
+	* New integrals
+	  <i | r p | j>,
+	  <i | r r p | j>,
+	  <i | r p r | j> and
+	  <i | r r r | j>
+Version 3.0.9  (2018-03-08):
 	* New integrals (i |nabla j) and  -1/2 *(i | nabla^2 j)
-Version 3.0.8  (2017-02-14):
+Version 3.0.8  (2018-02-14):
 	* Fix Fortran APIs
-Version 3.0.7  (2017-01-15):
+Version 3.0.7  (2018-01-15):
 	* Add 3-center SOC integrals
 Version 3.0.6  (2017-12-20):
 	* Add integrals for X2C graidents and hessian

diff --git a/README b/README
@@ -1,8 +1,8 @@
 libcint
 =======
 
-version 3.0.9
-2018-03-08
+version 3.0.10
+2018-03-20
 
 
 What is libcint

diff --git a/scripts/auto_intor.cl b/scripts/auto_intor.cl
@@ -35,6 +35,10 @@
   '("int1e_prinvxp"             (p* \| rinv cross p \| ))
   '("int1e_pnucxp"              (p* \| nuc cross p \| ))
   '("int2e_p1vxp1"              (p* \, cross p \| \, )) ; SSO
+  '("int1e_irp"                 ( \| rc nabla \| ))
+  '("int1e_irrp"                ( \| rc rc nabla \| ))
+  '("int1e_irpr"                ( \| rc nabla rc \| ))
+  '("int1e_irrr"                ( \| rc rc rc \| ))
 )
 
 (gen-cint "intor2.c"