2006-09-28 03:51:08 +08:00
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This directory contains libraries that can be linked with when
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2011-08-19 01:32:05 +08:00
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building LAMMPS, if particular packages are included in a LAMMPS
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build. The library itself must be built first, so that a lib*.a file
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exists for LAMMPS to link against.
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2006-09-28 03:51:08 +08:00
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2011-08-19 01:32:05 +08:00
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Each library directory contains a README with additional info about
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how to build the library. This may require you to edit one of the
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provided Makefiles to make it suitable for your machine.
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2006-09-28 03:51:08 +08:00
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2009-09-25 00:33:23 +08:00
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The libraries included in the LAMMPS distribution are the following:
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2006-09-28 03:51:08 +08:00
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2011-08-19 01:32:05 +08:00
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atc atomistic-to-continuum methods, USER-ATC package
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2009-09-25 00:33:23 +08:00
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from Reese Jones, Jeremy Templeton, Jon Zimmerman (Sandia)
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2011-08-19 01:32:05 +08:00
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awpmd antisymmetrized wave packet molecular dynamics, AWPMD package
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2011-06-14 06:22:33 +08:00
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from Ilya Valuev (JIHT RAS)
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2012-06-02 01:21:22 +08:00
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colvars collective variable module (Metadynamics, ABF and more)
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from Giacomo Fiorin and Jerome Henin (ICMS, Temple U)
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2012-01-07 01:42:50 +08:00
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cuda NVIDIA GPU routines, USER-CUDA package
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2011-08-19 01:32:05 +08:00
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from Christian Trott (U Tech Ilmenau)
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2012-06-14 00:40:16 +08:00
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gpu general GPU routines, GPU package
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2011-08-19 01:32:05 +08:00
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from Mike Brown (ORNL)
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2012-01-07 01:42:50 +08:00
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linalg set of BLAS and LAPACK routines needed by USER-ATC package
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from Axel Kohlmeyer (Temple U)
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2011-08-19 01:32:05 +08:00
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poems POEMS rigid-body integration package, POEMS package
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from Rudranarayan Mukherjee (RPI)
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meam modified embedded atom method (MEAM) potential, MEAM package
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2009-09-25 00:33:23 +08:00
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from Greg Wagner (Sandia)
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2011-08-19 01:32:05 +08:00
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reax ReaxFF potential, REAX package
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2009-09-25 00:33:23 +08:00
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from Adri van Duin (Penn State) and Aidan Thompson (Sandia)
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