diff --git a/src/MOLECULE/atom_vec_angle.cpp b/src/MOLECULE/atom_vec_angle.cpp index aec3485551..1b5c182326 100644 --- a/src/MOLECULE/atom_vec_angle.cpp +++ b/src/MOLECULE/atom_vec_angle.cpp @@ -175,9 +175,6 @@ int AtomVecAngle::pack_comm(int n, int *list, double *buf, buf[m++] = x[j][0]; buf[m++] = x[j][1]; buf[m++] = x[j][2]; - buf[m++] = v[j][0]; - buf[m++] = v[j][1]; - buf[m++] = v[j][2]; } } else { if (domain->triclinic == 0) { @@ -194,9 +191,6 @@ int AtomVecAngle::pack_comm(int n, int *list, double *buf, buf[m++] = x[j][0] + dx; buf[m++] = x[j][1] + dy; buf[m++] = x[j][2] + dz; - buf[m++] = v[j][0]; - buf[m++] = v[j][1]; - buf[m++] = v[j][2]; } } return m; @@ -217,6 +211,9 @@ int AtomVecAngle::pack_comm_vel(int n, int *list, double *buf, buf[m++] = x[j][0]; buf[m++] = x[j][1]; buf[m++] = x[j][2]; + buf[m++] = v[j][0]; + buf[m++] = v[j][1]; + buf[m++] = v[j][2]; } } else { if (domain->triclinic == 0) { @@ -233,6 +230,9 @@ int AtomVecAngle::pack_comm_vel(int n, int *list, double *buf, buf[m++] = x[j][0] + dx; buf[m++] = x[j][1] + dy; buf[m++] = x[j][2] + dz; + buf[m++] = v[j][0]; + buf[m++] = v[j][1]; + buf[m++] = v[j][2]; } } return m; diff --git a/src/Makefile.package b/src/Makefile.package index c52fa151cb..0c8aa9d850 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/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_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_SYSPATH = $(user-atc_SYSPATH) $(reax_SYSPATH) $(meam_SYSPATH) -PKG_SYSLIB = $(user-atc_SYSLIB) $(reax_SYSLIB) $(meam_SYSLIB) +PKG_SYSPATH = $(reax_SYSPATH) $(meam_SYSPATH) +PKG_SYSLIB = $(reax_SYSLIB) $(meam_SYSLIB) diff --git a/src/style_user_ackland.h b/src/style_user_ackland.h index 6e7483a9f7..e69de29bb2 100644 --- a/src/style_user_ackland.h +++ b/src/style_user_ackland.h @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - 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 3eafa50744..e69de29bb2 100644 --- a/src/style_user_ewaldn.h +++ b/src/style_user_ewaldn.h @@ -1,30 +0,0 @@ -/* ---------------------------------------------------------------------- - 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