initial dummy version of fix_latte.cpp
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lib/latte/Makefile.lammps.gfortran
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lib/latte/Makefile.lammps.gfortran
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# Settings that the LAMMPS build will import when this package is installed
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latte_SYSINC =
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latte_SYSLIB = -lgfortran
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latte_SYSPATH =
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lib/latte/Makefile.lammps.ifort
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lib/latte/Makefile.lammps.ifort
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# Settings that the LAMMPS build will import when this package library is used
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latte_SYSINC =
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latte_SYSLIB = -lifcore -lsvml -lompstub -limf
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latte_SYSPATH = -L/opt/intel/fce/10.0.023/lib
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lib/latte/README
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lib/latte/README
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This directory contains build settings for the LATTE library which
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is required to use the LATTE package and its fix latte command in a
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LAMMPS input script.
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Information about the LATTE DFTB code can be found at ... The LATTE
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developement effort is led by Anders Niklasson, etc at LANLS.
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To download, build, and install LATTE as a library on your system,
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follow these steps. We are working on scripts that will automate this
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process.
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Go to this web site: https://??? and download a current tarball. The
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tarball you download is "latte-??.tgz", which can be unpacked in this
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directory or wherever you wish:
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tar xvfz latte*tgz
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Note that if you unpack and build LATTE in this directory, when you
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download a new LAMMPS tarball, the files you have added here will be
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lost. So you likely want to build it somewhere else.
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Build instructions for LATTE library ...
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When you have successully built the LATTE library, you can build
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LAMMPS with the LATTE package installed:
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$ cd lammps/src
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$ make yes-latte
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$ make g++ (or whatever target you wish)
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Note that the Makefile.lammps file in this directory is required to
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allow the LAMMPS build to find the necessary LATTE files. You should
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not normally need to edit this file.
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