Minor changes

RELEASE_NOTES.org

@@ -4,20 +4,19 @@
 
 ** Changes
 
+  - Introduced DFT-based basis set correction
+  - Use OpamPack for OCaml
+  - Configure adapted for ARM
+  - Added many types of integrals
+
 *** TODO: take from dev
   - [ ] Added GTOs with complex exponent
-  - [ ] Added many types of integrals
   - Updated version of f77-zmq
   - Added transcorrelated SCF
   - Added transcorrelated CIPSI
   - Started to introduce shells in AOs
   - Added ECMD UEG functional
-  - Introduced DFT-based basis set correction
+  - General Davidson algorithm
-  - General davidson algorithm
-  - Use OpamPack for OCaml
-  - Configure adapted for ARM
-
-*** Done
 
 * Version 2.2
 

src/ao_two_e_ints/map_integrals.irp.f

@@ -321,14 +321,15 @@ BEGIN_PROVIDER [ double precision, ao_integrals_cache, (0:64*64*64*64) ]
   !$OMP END PARALLEL DO
 END_PROVIDER
 
+! ---
 
 double precision function get_ao_two_e_integral(i, j, k, l, map) result(result)
   use map_module
   implicit none
   BEGIN_DOC
-  ! Gets one AO bi-electronic integral from the AO map
+  ! Gets one AO bi-electronic integral from the AO map in PHYSICIST NOTATION
   !
-  ! i,j,k,l in physicist notation <ij|kl>
+  ! <1:k, 2:l |1:i, 2:j> 
   END_DOC
   integer, intent(in)            :: i,j,k,l
   integer(key_kind)              :: idx

src/ao_two_e_ints/two_e_integrals.irp.f

@@ -101,6 +101,7 @@ double precision function ao_two_e_integral(i,j,k,l)
     endif
 
   endif
+
 end
 
 double precision function ao_two_e_integral_schwartz_accel(i,j,k,l)