diff --git a/src/Makefile b/src/Makefile index 64e5bec97c6ca97d6c24beeebfdb93c77140631a..756f7956abb272b1108318a71a880881bedf72a5 100755 --- a/src/Makefile +++ b/src/Makefile @@ -47,7 +47,7 @@ PACKAGE = asphere body class2 colloid compress coreshell dipole fld gpu \ python qeq reax replica rigid shock snap srd voronoi xtc PACKUSER = user-atc user-awpmd user-cg-cmm user-colvars user-cuda \ - user-diffraction user-drude user-eff user-fep user-h5md \ + user-diffraction user-dpd user-drude user-eff user-fep user-h5md \ user-intel user-lb user-mgpt \ user-misc user-molfile user-omp user-phonon user-qmmm user-qtb \ user-quip user-reaxc user-smd user-smtbq user-sph user-tally diff --git a/src/neighbor.h b/src/neighbor.h index deba569916c15b57f6dbf59239befe6d818f8ae5..bb944b7a3b356600e73aac80d36fa8162fcb8a8a 100644 --- a/src/neighbor.h +++ b/src/neighbor.h @@ -94,6 +94,10 @@ class Neighbor : protected Pointers { bigint memory_usage(); int exclude_setting(); + // USER-DPD package + + void assign_ssa_airnums(); // set ssa_airnum values + protected: int me,nprocs; @@ -325,7 +329,6 @@ class Neighbor : protected Pointers { // SSA neighboring for USER-DPD int coord2ssa_airnum(double *); // map atom coord to an AIR number - void assign_ssa_airnums(); // set ssa_airnum values void half_bin_newton_ssa(NeighList *); void half_from_full_newton_ssa(class NeighList *);