Add supports to SSE3

sunqm · Jan 19, 2024 · b5c8735 · b5c8735
1 parent ea3857f
commit b5c8735
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diff --git a/src/cint2e.c b/src/cint2e.c
@@ -955,6 +955,9 @@ CACHE_SIZE_T CINT2e_spinor_drv(double complex *out, FINT *dims, CINTEnvVars *env
 /*
  * <ki|jl> = (ij|kl); i,j\in electron 1; k,l\in electron 2
  */
+#if __SSE3__
+#include "gout2e_simd.c"
+#else
 void CINTgout2e(double *gout, double *g, FINT *idx,
                 CINTEnvVars *envs, FINT gout_empty)
 {
@@ -1178,6 +1181,7 @@ void CINTgout2e(double *gout, double *g, FINT *idx,
                 } // end switch nroots
         }
 }
+#endif
 
 CACHE_SIZE_T int2e_sph(double *out, FINT *dims, FINT *shls, FINT *atm, FINT natm,
               FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache)