forked from lijiext/lammps
30 lines
1.1 KiB
Plaintext
30 lines
1.1 KiB
Plaintext
ATC (Atom To Continuum methods)
|
|
|
|
Reese Jones, Jeremy Templeton, Jonathan Zimmerman (Sandia National Labs)
|
|
rjones, jatempl, jzimmer at sandia.gov
|
|
September 2009
|
|
|
|
--------------
|
|
|
|
This is version 1.0 of the ATC library, which provides continuum field
|
|
estimation and molecular dynamics-finite element coupling methods.
|
|
|
|
This library must be built with a C++ compiler, before LAMMPS is
|
|
built, so LAMMPS can link against it.
|
|
|
|
Build the library using one of the provided Makefiles or creating your
|
|
own, specific to your compiler and system. For example:
|
|
|
|
make -f Makefile.g++
|
|
|
|
Note that the ATC library makes MPI calls, so you must build it with
|
|
the same MPI library that is used to build LAMMPS, e.g. as specified
|
|
by settings in the lammps/src/MAKE/Makefile.foo file.
|
|
|
|
If the build is successful, you should end up with a libatc.a file.
|
|
|
|
When you build LAMMPS with this library, you must insure that the
|
|
settings in the lo-level Makefile (in lammps/src/MAKE) are correct for
|
|
user-atc-SYSLIB and user-atc_SYSLIBPATH, so the the appropriate BLAS
|
|
and LAPACK libraries on your system can be linked against.
|