23 lines
1.0 KiB
Plaintext
23 lines
1.0 KiB
Plaintext
This package implements a "fix atc" command which can be used in a
|
|
LAMMPS input script. This fix can be employed to either do concurrent
|
|
coupling of MD with FE-based physics surrogates or on-the-fly
|
|
post-processing of atomic information to continuum fields.
|
|
|
|
See the doc page for the fix atc command to get started. At the
|
|
bottom of the doc page are many links to additional documentation
|
|
contained in the doc/USER/atc directory.
|
|
|
|
There are example scripts for using this package in examples/USER/atc.
|
|
|
|
This package uses an external library in lib/atc which must be
|
|
compiled before making LAMMPS. See the lib/atc/README file and the
|
|
LAMMPS manual for information on building LAMMPS with external
|
|
libraries. The settings in the Makefile.lammps file in that directory
|
|
must be correct for LAMMPS to build correctly with this package
|
|
installed.
|
|
|
|
The primary people who created this package are Reese Jones
|
|
(rjones at sandia.gov), Jeremy Templeton (jatempl at sandia.gov) and Jon
|
|
Zimmerman (jzimmer at sandia.gov) at Sandia. Contact them directly if
|
|
you have questions.
|