diff --git a/src/Makefile.package b/src/Makefile.package index 0c8aa9d850..c52fa151cb 100644 --- a/src/Makefile.package +++ b/src/Makefile.package @@ -1,9 +1,9 @@ # Settings for libraries used by specific LAMMPS packages # this file is auto-edited when those packages are included/excluded -PKG_INC = -I../../lib/reax -I../../lib/poems -I../../lib/meam -PKG_PATH = -L../../lib/reax -L../../lib/poems -L../../lib/meam -PKG_LIB = -lreax -lpoems -lmeam +PKG_INC = -I../../lib/atc -I../../lib/reax -I../../lib/poems -I../../lib/meam +PKG_PATH = -L../../lib/atc -L../../lib/reax -L../../lib/poems -L../../lib/meam +PKG_LIB = -latc -lreax -lpoems -lmeam -PKG_SYSPATH = $(reax_SYSPATH) $(meam_SYSPATH) -PKG_SYSLIB = $(reax_SYSLIB) $(meam_SYSLIB) +PKG_SYSPATH = $(user-atc_SYSPATH) $(reax_SYSPATH) $(meam_SYSPATH) +PKG_SYSLIB = $(user-atc_SYSLIB) $(reax_SYSLIB) $(meam_SYSLIB) diff --git a/src/atom_vec_hybrid.cpp b/src/atom_vec_hybrid.cpp index 04591e68dd..daa783fa46 100644 --- a/src/atom_vec_hybrid.cpp +++ b/src/atom_vec_hybrid.cpp @@ -57,6 +57,9 @@ AtomVecHybrid::AtomVecHybrid(LAMMPS *lmp, int narg, char **arg) : // hybrid settings are MAX or MIN of sub-style settings // hybrid sizes are minimial values plus extra values for each sub-style + molecular = 0; + comm_x_only = comm_f_only = 1; + size_forward = 3; size_reverse = 3; size_border = 6; diff --git a/src/style_user_ackland.h b/src/style_user_ackland.h index e69de29bb2..6e7483a9f7 100644 --- a/src/style_user_ackland.h +++ b/src/style_user_ackland.h @@ -0,0 +1,20 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + http://lammps.sandia.gov, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef ComputeInclude +#include "compute_ackland_atom.h" +#endif + +#ifdef ComputeClass +ComputeStyle(ackland/atom,ComputeAcklandAtom) +#endif diff --git a/src/style_user_ewaldn.h b/src/style_user_ewaldn.h index e69de29bb2..3eafa50744 100644 --- a/src/style_user_ewaldn.h +++ b/src/style_user_ewaldn.h @@ -0,0 +1,30 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + http://lammps.sandia.gov, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef KSpaceInclude +#include "ewald_n.h" +#endif + +#ifdef KSpaceClass +KSpaceStyle(ewald/n,EwaldN) +#endif + +#ifdef PairInclude +#include "pair_buck_coul.h" +#include "pair_lj_coul.h" +#endif + +#ifdef PairClass +PairStyle(buck/coul,PairBuckCoul) +PairStyle(lj/coul,PairLJCoul) +#endif