git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10036 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-06 15:19:12 +00:00
parent 451b01d769
commit e61a6b2250
10 changed files with 259 additions and 102 deletions

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@ -126,7 +126,7 @@ Particle and model types :h4
coarse-grained mesoscale models
finite-size spherical and ellipsoidal particles
finite-size line segment (2d) and triangle (3d) particles
point dipolar particles
point dipole particles
rigid collections of particles
hybrid combinations of these :ul
@ -140,7 +140,8 @@ commands)
Yukawa, soft, class 2 (COMPASS), hydrogen bond, tabulated
charged pairwise potentials: Coulombic, point-dipole
manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), \
embedded ion method (EIM), EDIP, ADP, Stillinger-Weber, Tersoff, REBO, AIREBO, ReaxFF, COMB
embedded ion method (EIM), EDIP, ADP, Stillinger-Weber, Tersoff, \
REBO, AIREBO, ReaxFF, COMB
electron force field (eFF, AWPMD)
coarse-grained potentials: DPD, GayBerne, REsquared, colloidal, DLVO
mesoscopic potentials: granular, Peridynamics, SPH
@ -155,9 +156,10 @@ commands)
water potentials: TIP3P, TIP4P, SPC
implicit solvent potentials: hydrodynamic lubrication, Debye
"KIM archive"_http://openkim.org of potentials
long-range Coulombics and dispersion: Ewald, Wolf, \
PPPM (similar to particle-mesh Ewald), Ewald/N for long-range Lennard-Jones
force-field compatibility with common CHARMM, AMBER, DREIDING, OPLS, GROMACS, COMPASS options
long-range interactions for charge, point-dipoles, and LJ dispersion: \
Ewald, Wolf, PPPM (similar to particle-mesh Ewald)
force-field compatibility with common CHARMM, AMBER, DREIDING, \
OPLS, GROMACS, COMPASS options
handful of GPU-enabled pair styles
hybrid potentials: multiple pair, bond, angle, dihedral, improper \
potentials can be used in one simulation