git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2842 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2009-06-03 19:59:51 +00:00
parent 97e7724158
commit 482c0912d6
2 changed files with 26 additions and 19 deletions

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@ -367,13 +367,26 @@ on how to build the libraries themselves.
method potential, which is a generalization of EAM potentials that can
be used to model a wider variety of materials. This MEAM
implementation was written by Greg Wagner at Sandia. It requires a
F90 compiler to build.
F90 compiler to build. The C++ to FORTRAN function calls in pair_meam.cpp
assumes that FORTRAN object names are converted to C object names by
appending an underscore character. This is generally the case, but
on machines that do not conform to this convention, you will need to
modify either the C++ code or your compiler settings.
</P>
<P>The "reax" library in lib/reax computes the Reactive Force Field
(ReaxFF) potential, developed by Adri van Duin in Bill Goddard's group
at CalTech. This implementation in LAMMPS uses many of Adri's files
and was developed by Aidan Thompson at Sandia and Hansohl Cho at MIT.
It requires a F77 or F90 compiler to build.
It requires a F77 or F90 compiler to build.
The C++ to FORTRAN function calls in pair_reax.cpp
assume that FORTRAN object names are converted to C object names by
appending an underscore character. This is generally the case, but
on machines that do not conform to this convention, you will need to
modify either the C++ code or your compiler settings. The name conversion
is handled by the preprocessor macro called FORTRAN in pair_reax_fortran.h.
Different definitions of this macro can be obtained by adding a
machine-specific macro definition to the CCFLAGS variable in your Makefile
e.g. -D_IBM. See pair_reax_fortran.h for more info.
</P>
<P>The "poems" library in lib/poems computes the constrained rigid-body
motion of articulated (jointed) multibody systems. POEMS was written