New 4th order 2e integrals

sunqm · Mar 19, 2019 · ce22781 · ce22781
1 parent 24aa928
commit ce22781
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diff --git a/ChangeLog b/ChangeLog
@@ -1,6 +1,7 @@
-Version 3.0.15  (2019-?-?):
+Version 3.0.15  (2019-03-18):
 	* F12 second derivatives
 	* Add integrals for Gaussian type geminals
+	* Add 4th order derivatives of 2e integrals
 Version 3.0.14  (2018-11-22):
 	* F12 derivative integrals
 	* New 2c2e integral ( nabla nabla i | j )

diff --git a/scripts/auto_intor.cl b/scripts/auto_intor.cl
@@ -185,6 +185,7 @@
   '("int1e_ipipsprinvsp"        ( nabla nabla sigma dot p \| rinv sigma dot p \| ))
   '("int1e_ipsprinvspip"        ( nabla sigma dot p \| rinv sigma dot p \| nabla ))
   '("int2e_ipip1ipip2"          ( nabla nabla \, \| nabla nabla \, ))
+  '("int2e_ipvip1ipvip2"        ( nabla \, nabla \| nabla \, nabla ))
 )
 
 (gen-cint "int3c2e.c"