lammps

History

Steve Plimpton db5a6b272b Merge pull request #842 from martok/meamc-bugfix MEAM/C Improvements/fixes		2018-03-23 13:40:14 -06:00
..
README	performance improvement through moving inlinable functions to header file	2017-06-30 13:04:09 -04:00
meam.h	Merge pull request #842 from martok/meamc-bugfix	2018-03-23 13:40:14 -06:00
meam_dens_final.cpp	Avoid more div by zero in meam/c	2018-03-16 17:45:57 +01:00
meam_dens_init.cpp	remove some dead code and prune argument lists accordingly	2017-07-01 18:16:36 -04:00
meam_force.cpp	Avoid more div by zero in meam/c	2018-03-16 17:45:57 +01:00
meam_funcs.cpp	Improve style, replace pow(x) with faster square() and cube()	2018-03-16 16:38:23 +01:00
meam_impl.cpp	Re-Run clang-format	2017-06-30 12:28:22 +02:00
meam_setup_done.cpp	MEAM/C: Remove unused function	2018-03-19 13:33:58 +01:00
meam_setup_global.cpp	Move stateless functions to separate module, improve style	2017-06-30 15:37:26 +02:00
meam_setup_param.cpp	Move stateless functions to separate module, improve style	2017-06-30 15:37:26 +02:00
pair_meamc.cpp	cleanup embedded or trailing tabs	2018-03-16 13:21:54 -04:00
pair_meamc.h	Remove neigh_f2c/c2f, related cleanup	2017-06-22 19:02:14 +02:00

README

This package implements the MEAM/C potential as a LAMMPS pair style.

==============================================================================

This package is a translation of the MEAM package to native C++. See
that package as well as the Fortran code distributed in lib/meam for
the original sources and information.


Translation by
 Sebastian Hütter, sebastian.huetter@ovgu.de
 Institute of Materials and Joining Technology
 Otto-von-Guericke University Magdeburg, Germany

The original Fortran implementation was created by
  Greg Wagner (while at Sandia, now at Northwestern U).

==============================================================================

Use "make yes-user-meamc" to enable this package when building LAMMPS.

In your LAMMPS input script, specifiy
  pair_style meam/c
to enable the use of this implementation. All parameters, input files and
outputs are exactly identical to these used with pair_style meam.