diff --git a/src/atom.h b/src/atom.h index bc49b11382..a87b66fed5 100644 --- a/src/atom.h +++ b/src/atom.h @@ -90,6 +90,7 @@ class Atom : protected Pointers { // customize by adding new flag int sphere_flag,ellipsoid_flag,line_flag,tri_flag,peri_flag,electron_flag; + int ecp_flag; int wavepacket_flag,sph_flag; int molecule_flag,q_flag,mu_flag;