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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3045 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2009-08-11 13:52:10 +00:00
parent 64fb84c417
commit be41e3b26d
7 changed files with 7 additions and 8 deletions
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3
src/USER-CG-CMM/README
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The files in this directory are a user-contributed package for LAMMPS. The files in this directory are a user-contributed package for LAMMPS.
The person who created these files is Axel Kohlmeyer The person who created these files is Axel Kohlmeyer
(akohlmey@cmm.chem.upenn.edu). Contact him directly if you have (akohlmey@gmail.com). Contact him directly if you have questions.
questions.
The current version of this package should be considered beta The current version of this package should be considered beta
quality. The CG potentials work correctly and well, but there will be quality. The CG potentials work correctly and well, but there will be

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src/USER-CG-CMM/angle_cg_cmm.cpp
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/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
Special Angle Potential for the CMM coarse grained MD potentials. Special Angle Potential for the CMM coarse grained MD potentials.
Contributing author: Axel Kohlmeyer <akohlmey@cmm.chem.upenn.edu> Contributing author: Axel Kohlmeyer <akohlmey@gmail.com>
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#include "math.h" #include "math.h"

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src/USER-CG-CMM/cg_cmm_parms.cpp
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/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
Common parameters for the CMM coarse grained MD potentials. Common parameters for the CMM coarse grained MD potentials.
Contributing author: Axel Kohlmeyer <akohlmey@cmm.chem.upenn.edu> Contributing author: Axel Kohlmeyer <akohlmey@gmail.com>
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#include "cg_cmm_parms.h" #include "cg_cmm_parms.h"

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src/USER-CG-CMM/pair_cg_cmm.cpp
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/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
CMM coarse grained MD potentials. Plain version w/o charges. CMM coarse grained MD potentials. Plain version w/o charges.
Contributing author: Axel Kohlmeyer <akohlmey@cmm.chem.upenn.edu> Contributing author: Axel Kohlmeyer <akohlmey@gmail.com>
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#include "pair_cg_cmm.h" #include "pair_cg_cmm.h"

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src/USER-CG-CMM/pair_cg_cmm_coul_cut.cpp
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/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
CMM coarse grained MD potentials. Coulomb with cutoff version. CMM coarse grained MD potentials. Coulomb with cutoff version.
Contributing author: Axel Kohlmeyer <akohlmey@cmm.chem.upenn.edu> Contributing author: Axel Kohlmeyer <akohlmey@gmail.com>
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#include "pair_cg_cmm_coul_cut.h" #include "pair_cg_cmm_coul_cut.h"

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src/USER-CG-CMM/pair_cg_cmm_coul_long.cpp
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/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
CMM coarse grained MD potentials. Coulomb with k-space version. CMM coarse grained MD potentials. Coulomb with k-space version.
Contributing author: Axel Kohlmeyer <akohlmey@cmm.chem.upenn.edu> Contributing author: Axel Kohlmeyer <akohlmey@gmail.com>
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#include "pair_cg_cmm_coul_long.h" #include "pair_cg_cmm_coul_long.h"

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src/USER-CG-CMM/pair_cmm_common.cpp
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/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
Common functionality for the CMM coarse grained MD potentials. Common functionality for the CMM coarse grained MD potentials.
Contributing author: Axel Kohlmeyer <akohlmey@cmm.chem.upenn.edu> Contributing author: Axel Kohlmeyer <akohlmey@gmail.com>
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#include "pair_cmm_common.h" #include "pair_cmm_common.h"