From 7b9c62d78470b2dcf3b99343abcda6d786481e3b Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Tue, 3 May 2022 16:55:01 -0700 Subject: [PATCH] Fix bug #67 --- src/cint3c1e.c | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/cint3c1e.c b/src/cint3c1e.c index cfe2a14e..4084e8e1 100644 --- a/src/cint3c1e.c +++ b/src/cint3c1e.c @@ -497,7 +497,7 @@ CACHE_SIZE_T int3c1e_cart(double *out, FINT *dims, FINT *shls, FINT *atm, FINT n CINTEnvVars envs; CINTinit_int3c1e_EnvVars(&envs, ng, shls, atm, natm, bas, nbas, env); envs.f_gout = &CINTgout3c1e; - return CINT3c1e_drv(out, dims, &envs, opt, cache, &c2s_cart_1e, 0, 0); + return CINT3c1e_drv(out, dims, &envs, opt, cache, &c2s_cart_3c1e, 0, 0); } CACHE_SIZE_T int3c1e_spinor(double complex *out, FINT *dims, FINT *shls, FINT *atm, FINT natm,