diff --git a/doc/Section_errors.html b/doc/Section_errors.html index a27f2b6065..0f73e09ff8 100644 --- a/doc/Section_errors.html +++ b/doc/Section_errors.html @@ -73,7 +73,7 @@ of the following cases: allocated. Most reasonable MD runs are compute limited, not memory limited, so this shouldn't be a bottleneck on most platforms. Almost all large memory allocations in the code are done via C-style malloc's -which will generate an error message if you run out of memory. +prwhich will generate an error message if you run out of memory. Smaller chunks of memory are allocated via C++ "new" statements. If you are unlucky you could run out of memory just when one of these small requests is made, in which case the code will crash or hang (in diff --git a/doc/Section_history.html b/doc/Section_history.html index 881d419cd3..996c175d62 100644 --- a/doc/Section_history.html +++ b/doc/Section_history.html @@ -35,8 +35,7 @@ time or interest; others are just a lot of work!
LAMMPS is a classical molecular dynamics code that models an ensemble of particles in a liquid, solid, or gaseous state. It can model -atomic, polymeric, biological, metallic, or granular systems using a -variety of force fields and boundary conditions. +atomic, polymeric, biological, metallic, granular, and coarse-grained +systems using a variety of force fields and boundary conditions.
For examples of LAMMPS simulations, see the Publications page of the LAMMPS WWW Site. @@ -108,6 +108,7 @@ LAMMPS.
Other CRADA partners involved in the design and testing of LAMMPS were diff --git a/doc/Section_intro.txt b/doc/Section_intro.txt index b7831926a9..8d988d6927 100644 --- a/doc/Section_intro.txt +++ b/doc/Section_intro.txt @@ -25,8 +25,8 @@ the years. LAMMPS is a classical molecular dynamics code that models an ensemble of particles in a liquid, solid, or gaseous state. It can model -atomic, polymeric, biological, metallic, or granular systems using a -variety of force fields and boundary conditions. +atomic, polymeric, biological, metallic, granular, and coarse-grained +systems using a variety of force fields and boundary conditions. For examples of LAMMPS simulations, see the Publications page of the "LAMMPS WWW Site"_lws. @@ -104,6 +104,7 @@ Kinds of systems LAMMPS can simulate: :h4 all-atom polymers, organic molecules, proteins, DNA metals granular materials + coarse-grained mesoscale models hybrid systems :ul Force fields: :h4 @@ -113,8 +114,10 @@ Force fields: :h4 commands) pairwise potentials: Lennard-Jones, Coulombic, Buckingham, Morse, \ - Yukawa, embedded atom method (EAM, Finnis/Sinclair), frictional granular, - Debye, soft, DPD, class 2 (COMPASS), tabulated, hybrid + Yukawa, frictional granular, Debye, soft, DPD, class 2 (COMPASS), \ + tabulated, hybrid + manybody potentials: EAM, Finnis/Sinclair, modified EAM (MEAM), \ + Stillinger-Weber, Tersoff bond potentials: harmonic, FENE, Morse, nonlinear, class 2, \ quartic (breakable), hybrid angle potentials: harmonic, CHARMM, cosine, cosine/squared, \ @@ -467,7 +470,16 @@ breakable bond quartic potential: Chris Lorenz and Mark Stevens (SNL) faster pair hybrid potential: James Fischer \ (High Performance Technologies, Inc), Vincent Natoli and \ David Richie (Stone Ridge Technology) -POEMS coupled rigid body integrator: Rudranarayan Mukherjee (RPI) :tb(s=:) +POEMS coupled rigid body integrator: Rudranarayan Mukherjee (RPI) +OPLS dihedral potential: Mark Stevens (Sandia) +multi-letter variable names : Naveen Michaud-Agrawal (Johns Hopkins U) +fix momentum and recenter : Naveen Michaud-Agrawal (Johns Hopkins U) +LJ tail corrections for energy/pressure : Paul Crozier (Sandia) +region prism : Pieter in't Veld (Sandia) +Stillinger-Weber and Tersoff potentials : Aidan Thompson (Sandia) +fix wall/lj126 : Mark Stevens (Sandia) +optimized pair potentials for lj/cut, charmm/long, eam, morse : James Fischer (High Performance Tech), David Richie and Vincent Natol (Stone Ridge Technologies) +MEAM potential : Greg Wagner (Sandia) :tb(s=:) Other CRADA partners involved in the design and testing of LAMMPS were