24 #ifndef LJMATRIXHINCLUDED 25 #define LJMATRIXHINCLUDED 34 #define LJI(A,B) ((A) * num_vdw_face_types + (B)) 51 int init(
string vdw_params_fname,
string vdw_type);
53 void get_LJ_params(
int type1,
int type2,
scalar *vdw_eps,
scalar *vdw_r_eq);
58 int init_lj(
string vdw_params_fname);
scalar vdw_r_eq
Definition: LJ_matrix.h:43
LJ_pair * params
Definition: LJ_matrix.h:60
Definition: LJ_matrix.h:38
scalar vdw_eps
Definition: LJ_matrix.h:42
int num_vdw_face_types
Definition: LJ_matrix.h:61
Definition: LJ_matrix.h:46
double scalar
Definition: mat_vec_types.h:36