diff --git a/src/USER-DPD/README b/src/USER-DPD/README index 1626375c4b..ef895bef2a 100644 --- a/src/USER-DPD/README +++ b/src/USER-DPD/README @@ -1,7 +1,7 @@ This package implements the dissipative particle dynamics (DPD) method under isothermal, isoenergetic, isobaric and isenthalpic conditions. -The DPD equations of motion are integrated through the Shardlow -splitting algorithm. +The DPD equations of motion are integrated efficiently through the +Shardlow splitting algorithm. Currently, the package has the following features: diff --git a/src/USER-DPD/atom_vec_dpd.cpp b/src/USER-DPD/atom_vec_dpd.cpp index 7f48293389..821e771ac7 100644 --- a/src/USER-DPD/atom_vec_dpd.cpp +++ b/src/USER-DPD/atom_vec_dpd.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) + Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ #include diff --git a/src/USER-DPD/atom_vec_dpd.h b/src/USER-DPD/atom_vec_dpd.h index 0f5c348f5c..c93dcbf278 100644 --- a/src/USER-DPD/atom_vec_dpd.h +++ b/src/USER-DPD/atom_vec_dpd.h @@ -11,10 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -/* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) -------------------------------------------------------------------------- */ - #ifdef ATOM_CLASS AtomStyle(dpd,AtomVecDPD) diff --git a/src/USER-DPD/compute_dpd.cpp b/src/USER-DPD/compute_dpd.cpp index a1299ca28a..87eab0baac 100644 --- a/src/USER-DPD/compute_dpd.cpp +++ b/src/USER-DPD/compute_dpd.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) + Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ #include diff --git a/src/USER-DPD/compute_dpd.h b/src/USER-DPD/compute_dpd.h index 022beb68b3..c2e8133cd4 100644 --- a/src/USER-DPD/compute_dpd.h +++ b/src/USER-DPD/compute_dpd.h @@ -11,10 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -/* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) -------------------------------------------------------------------------- */ - #ifdef COMPUTE_CLASS ComputeStyle(dpd,ComputeDpd) diff --git a/src/USER-DPD/compute_dpd_atom.cpp b/src/USER-DPD/compute_dpd_atom.cpp index 52f2abc68f..9629aa5435 100644 --- a/src/USER-DPD/compute_dpd_atom.cpp +++ b/src/USER-DPD/compute_dpd_atom.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) + Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ #include "math.h" diff --git a/src/USER-DPD/compute_dpd_atom.h b/src/USER-DPD/compute_dpd_atom.h index 771b01510e..e591e4c48e 100644 --- a/src/USER-DPD/compute_dpd_atom.h +++ b/src/USER-DPD/compute_dpd_atom.h @@ -11,10 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -/* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) -------------------------------------------------------------------------- */ - #ifdef COMPUTE_CLASS ComputeStyle(dpd/atom,ComputeDpdAtom) diff --git a/src/USER-DPD/fix_eos_cv.cpp b/src/USER-DPD/fix_eos_cv.cpp index 7207a80a95..ea9f1bd475 100644 --- a/src/USER-DPD/fix_eos_cv.cpp +++ b/src/USER-DPD/fix_eos_cv.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) + Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ #include diff --git a/src/USER-DPD/fix_eos_cv.h b/src/USER-DPD/fix_eos_cv.h index ab59275ec8..043b8b82d1 100644 --- a/src/USER-DPD/fix_eos_cv.h +++ b/src/USER-DPD/fix_eos_cv.h @@ -11,10 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -/* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) -------------------------------------------------------------------------- */ - #ifdef FIX_CLASS FixStyle(eos/cv,FixEOScv) diff --git a/src/USER-DPD/fix_eos_table.cpp b/src/USER-DPD/fix_eos_table.cpp index 85aa20ee98..a2b28c5b73 100644 --- a/src/USER-DPD/fix_eos_table.cpp +++ b/src/USER-DPD/fix_eos_table.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) + Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ #include diff --git a/src/USER-DPD/fix_eos_table.h b/src/USER-DPD/fix_eos_table.h index b508ce3f39..7c33cf6059 100644 --- a/src/USER-DPD/fix_eos_table.h +++ b/src/USER-DPD/fix_eos_table.h @@ -11,10 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -/* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) -------------------------------------------------------------------------- */ - #ifdef FIX_CLASS FixStyle(eos/table,FixEOStable) diff --git a/src/USER-DPD/fix_shardlow.cpp b/src/USER-DPD/fix_shardlow.cpp index 8dd6e4e2e7..eef9b13409 100644 --- a/src/USER-DPD/fix_shardlow.cpp +++ b/src/USER-DPD/fix_shardlow.cpp @@ -13,7 +13,8 @@ /* ---------------------------------------------------------------------- Contributing authors: - James Larentzos and Timothy I. Mattox (Engility Corporation) + James Larentzos (U.S. Army Research Laboratory) + and Timothy I. Mattox (Engility Corporation) Martin Lisal (Institute of Chemical Process Fundamentals of the Czech Academy of Sciences and J. E. Purkinje University) diff --git a/src/USER-DPD/fix_shardlow.h b/src/USER-DPD/fix_shardlow.h index 6c25fd86e2..327e6357dc 100644 --- a/src/USER-DPD/fix_shardlow.h +++ b/src/USER-DPD/fix_shardlow.h @@ -11,27 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -/* ---------------------------------------------------------------------- - Contributing authors: - James Larentzos and Timothy I. Mattox (Engility Corporation) - - Martin Lisal (Institute of Chemical Process Fundamentals - of the Czech Academy of Sciences and J. E. Purkinje University) - - John Brennan, Joshua Moore and William Mattson (Army Research Lab) - - Please cite the related publications: - J. P. Larentzos, J. K. Brennan, J. D. Moore, M. Lisal, W. D. Mattson, - "Parallel implementation of isothermal and isoenergetic Dissipative - Particle Dynamics using Shardlow-like splitting algorithms", - Computer Physics Communications, 2014, 185, pp 1987--1998. - - M. Lisal, J. K. Brennan, J. Bonet Avalos, "Dissipative particle dynamics - at isothermal, isobaric, isoenergetic, and isoenthalpic conditions using - Shardlow-like splitting algorithms", Journal of Chemical Physics, 2011, - 135, 204105. -------------------------------------------------------------------------- */ - #ifdef FIX_CLASS FixStyle(shardlow,FixShardlow) diff --git a/src/USER-DPD/pair_dpd_conservative.cpp b/src/USER-DPD/pair_dpd_conservative.cpp index 8707023110..4973fa13a5 100644 --- a/src/USER-DPD/pair_dpd_conservative.cpp +++ b/src/USER-DPD/pair_dpd_conservative.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) + Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ #include diff --git a/src/USER-DPD/pair_dpd_conservative.h b/src/USER-DPD/pair_dpd_conservative.h index 15402be6d8..6d250f208a 100644 --- a/src/USER-DPD/pair_dpd_conservative.h +++ b/src/USER-DPD/pair_dpd_conservative.h @@ -11,10 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -/* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) -------------------------------------------------------------------------- */ - #ifdef PAIR_CLASS PairStyle(dpd/conservative,PairDPDconservative) diff --git a/src/USER-DPD/pair_dpd_fdt.cpp b/src/USER-DPD/pair_dpd_fdt.cpp index e03d913f9f..c28b3cdbe1 100644 --- a/src/USER-DPD/pair_dpd_fdt.cpp +++ b/src/USER-DPD/pair_dpd_fdt.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) + Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ #include diff --git a/src/USER-DPD/pair_dpd_fdt.h b/src/USER-DPD/pair_dpd_fdt.h index 8384e3b682..a11d963ef9 100644 --- a/src/USER-DPD/pair_dpd_fdt.h +++ b/src/USER-DPD/pair_dpd_fdt.h @@ -11,10 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -/* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) -------------------------------------------------------------------------- */ - #ifdef PAIR_CLASS PairStyle(dpd/fdt,PairDPDfdt) diff --git a/src/USER-DPD/pair_dpd_fdt_energy.cpp b/src/USER-DPD/pair_dpd_fdt_energy.cpp index 8d71479f0b..b7af13802f 100644 --- a/src/USER-DPD/pair_dpd_fdt_energy.cpp +++ b/src/USER-DPD/pair_dpd_fdt_energy.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) + Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ #include diff --git a/src/USER-DPD/pair_dpd_fdt_energy.h b/src/USER-DPD/pair_dpd_fdt_energy.h index 4a68383398..ef1afed4e8 100644 --- a/src/USER-DPD/pair_dpd_fdt_energy.h +++ b/src/USER-DPD/pair_dpd_fdt_energy.h @@ -11,10 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -/* ---------------------------------------------------------------------- - Contributing author: James Larentzos (Engility Corporation) -------------------------------------------------------------------------- */ - #ifdef PAIR_CLASS PairStyle(dpd/fdt/energy,PairDPDfdtEnergy)