initial dummy version of fix_latte.cpp

This commit is contained in:
Steve Plimpton
2016-11-09 13:48:11 -07:00
parent a23b287a7a
commit 6f23f6535c
8 changed files with 487 additions and 3 deletions

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# Settings that the LAMMPS build will import when this package is installed
latte_SYSINC =
latte_SYSLIB = -lgfortran
latte_SYSPATH =

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# Settings that the LAMMPS build will import when this package library is used
latte_SYSINC =
latte_SYSLIB = -lifcore -lsvml -lompstub -limf
latte_SYSPATH = -L/opt/intel/fce/10.0.023/lib

33
lib/latte/README Normal file
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This directory contains build settings for the LATTE library which
is required to use the LATTE package and its fix latte command in a
LAMMPS input script.
Information about the LATTE DFTB code can be found at ... The LATTE
developement effort is led by Anders Niklasson, etc at LANLS.
To download, build, and install LATTE as a library on your system,
follow these steps. We are working on scripts that will automate this
process.
Go to this web site: https://??? and download a current tarball. The
tarball you download is "latte-??.tgz", which can be unpacked in this
directory or wherever you wish:
tar xvfz latte*tgz
Note that if you unpack and build LATTE in this directory, when you
download a new LAMMPS tarball, the files you have added here will be
lost. So you likely want to build it somewhere else.
Build instructions for LATTE library ...
When you have successully built the LATTE library, you can build
LAMMPS with the LATTE package installed:
$ cd lammps/src
$ make yes-latte
$ make g++ (or whatever target you wish)
Note that the Makefile.lammps file in this directory is required to
allow the LAMMPS build to find the necessary LATTE files. You should
not normally need to edit this file.