From 2511d4528e9a09662742303ea56eae11cec848cb Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 18 Jan 2008 20:23:18 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1393 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Section_errors.txt | 4 ++++ doc/Section_history.txt | 1 - doc/Section_intro.txt | 2 +- src/style_meam.h | 20 ++++++++++++++++++++ src/style_poems.h | 20 ++++++++++++++++++++ src/style_user_ackland.h | 20 -------------------- src/style_user_ewaldn.h | 30 ------------------------------ 7 files changed, 45 insertions(+), 52 deletions(-) diff --git a/doc/Section_errors.txt b/doc/Section_errors.txt index fa68c85458..4a926afcf4 100644 --- a/doc/Section_errors.txt +++ b/doc/Section_errors.txt @@ -1357,6 +1357,10 @@ value. :dd Only atom-style variables generate per-atom quantities, needed for dump output. :dd +{Dump dcd cannot dump unwrapped coords with triclinic box} :dt + +Cannot use unwrap option with non-orthogonal simulation box. :dd + {Dump dcd must use group all} :dt Self-explanatory. :dd diff --git a/doc/Section_history.txt b/doc/Section_history.txt index 9223e2dbf1..461ce67005 100644 --- a/doc/Section_history.txt +++ b/doc/Section_history.txt @@ -28,7 +28,6 @@ These are new features we'd like to eventually add to LAMMPS. Some are being worked on; some haven't been implemented because of lack of time or interest; others are just a lot of work! -more complete per-atom energy and stress computations Monte Carlo bond-swapping for polymers (was in Fortran LAMMPS) torsional shear boundary conditions and temperature calculation NPT with changing box shape (Parinello-Rahman) diff --git a/doc/Section_intro.txt b/doc/Section_intro.txt index 017868032f..9f8cea01a1 100644 --- a/doc/Section_intro.txt +++ b/doc/Section_intro.txt @@ -120,7 +120,7 @@ commands) charged pairwise potentials: Coulombic, point-dipole manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), \ Stillinger-Weber, Tersoff, AI-REBO - coarse-grain potentials: granular, DPD, GayBerne, colloidal + coarse-grain potentials: granular, DPD, GayBerne, REsquared, colloidal bond potentials: harmonic, FENE, Morse, nonlinear, class 2, \ quartic (breakable) angle potentials: harmonic, CHARMM, cosine, cosine/squared, \ diff --git a/src/style_meam.h b/src/style_meam.h index e69de29bb2..221a363f11 100644 --- a/src/style_meam.h +++ b/src/style_meam.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 PairInclude +#include "pair_meam.h" +#endif + +#ifdef PairClass +PairStyle(meam,PairMEAM) +#endif diff --git a/src/style_poems.h b/src/style_poems.h index e69de29bb2..0434d02bf8 100644 --- a/src/style_poems.h +++ b/src/style_poems.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 FixInclude +#include "fix_poems.h" +#endif + +#ifdef FixClass +FixStyle(poems,FixPOEMS) +#endif 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