From 8153147d0cf907ee0ec47c85336bf5e04b9704c7 Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Mon, 30 May 2022 16:15:04 -0700 Subject: [PATCH] Missing cart2sph function for l=15 --- src/cart2sph.c | 3 +++ 1 file changed, 3 insertions(+) diff --git a/src/cart2sph.c b/src/cart2sph.c index d697577..7830500 100644 --- a/src/cart2sph.c +++ b/src/cart2sph.c @@ -4037,6 +4037,7 @@ double *(*c2s_bra_sph[])() = { a_bra_cart2spheric, a_bra_cart2spheric, a_bra_cart2spheric, + a_bra_cart2spheric, }; double *(*c2s_ket_sph[])(double *gsph, double *gcart, @@ -4056,6 +4057,7 @@ 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, @@ -4075,6 +4077,7 @@ double *(*c2s_ket_sph1[])(double *gsph, double *gcart, a_ket_cart2spheric, a_ket_cart2spheric, a_ket_cart2spheric, + a_ket_cart2spheric, };