Missing cart2sph function for l=15

sunqm · May 30, 2022 · 8ba6f08 · 8ba6f08
1 parent 2157f6c
commit 8ba6f08
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Showing 2 changed files with 4 additions and 1 deletion.
diff --git a/src/c2f.c b/src/c2f.c
@@ -126,7 +126,7 @@ double cintgto_norm_(FINT *n, double *a)
  * let Fortran be able to change CINTOpt
  */
 /* in Fortran, pass an integer(8) to hold the pointer of CINTOpt */
-//typedef long CINTOptPtrAsInteger8;
+//typedef int64_t CINTOptPtrAsInteger8;
 void cintinit_2e_optimizer_(CINTOpt **opt,
                             FINT *atm, FINT *natm,
                             FINT *bas, FINT *nbas, double *env)

diff --git a/src/cart2sph.c b/src/cart2sph.c
@@ -3904,6 +3904,7 @@ double *(*c2s_bra_sph[])() = {
         a_bra_cart2spheric,
         a_bra_cart2spheric,
         a_bra_cart2spheric,
+        a_bra_cart2spheric,
 };
 
 double *(*c2s_ket_sph[])(double *gsph, double *gcart,
@@ -3923,6 +3924,7 @@ double *(*c2s_ket_sph[])(double *gsph, double *gcart,
         a_ket_cart2spheric,
         a_ket_cart2spheric,
         a_ket_cart2spheric,
+        a_ket_cart2spheric,
 };
 
 double *(*c2s_ket_sph1[])(double *gsph, double *gcart,
@@ -3942,6 +3944,7 @@ double *(*c2s_ket_sph1[])(double *gsph, double *gcart,
         a_ket_cart2spheric,
         a_ket_cart2spheric,
         a_ket_cart2spheric,
+        a_ket_cart2spheric,
 };