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!
  • torsional shear boundary conditions and temperature calculation
  • bond creation potentials
  • point dipole force fields -
  • many-body and bond-order potentials for materials like C, Si, or silica -
  • modified EAM (MEAM) potentials for metals +
  • REBO bond-order potential
  • ReaxFF force field from Bill Goddard's group
  • Parinello-Rahman non-rectilinear simulation box diff --git a/doc/Section_history.txt b/doc/Section_history.txt index 5ddf6b7cd3..2979a6cd01 100644 --- a/doc/Section_history.txt +++ b/doc/Section_history.txt @@ -32,8 +32,7 @@ Monte Carlo bond-swapping for polymers (was in Fortran LAMMPS) torsional shear boundary conditions and temperature calculation bond creation potentials point dipole force fields -many-body and bond-order potentials for materials like C, Si, or silica -modified EAM (MEAM) potentials for metals +REBO bond-order potential ReaxFF force field from Bill Goddard's group Parinello-Rahman non-rectilinear simulation box :ul diff --git a/doc/Section_intro.html b/doc/Section_intro.html index 81e6b50fbc..bbfd83cd43 100644 --- a/doc/Section_intro.html +++ b/doc/Section_intro.html @@ -28,8 +28,8 @@ 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. @@ -108,6 +108,7 @@ LAMMPS.

  • all-atom polymers, organic molecules, proteins, DNA
  • metals
  • granular materials +
  • coarse-grained mesoscale models
  • hybrid systems

    Force fields: @@ -117,8 +118,8 @@ LAMMPS. improper style, kspace style commands)

    -