ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13732 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2015-07-27 18:05:31 +00:00
parent 218bd7cec7
commit 059f719d62
10 changed files with 184 additions and 157 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
doc/Section_intro.html
View File

@ -145,10 +145,12 @@ commands)
<UL><LI> pairwise potentials: Lennard-Jones, Buckingham, Morse, Born-Mayer-Huggins, Yukawa, soft, class 2 (COMPASS), hydrogen bond, tabulated
<LI> charged pairwise potentials: Coulombic, point-dipole
<LI> manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), embedded ion method (EIM), EDIP, ADP, Stillinger-Weber, Tersoff, REBO, AIREBO, ReaxFF, COMB, SNAP, Streitz-Mintmire
<LI> long-range interactions for charge, point-dipoles, and LJ dispersion: Ewald, Wolf, PPPM (similar to particle-mesh Ewald)
<LI> polarization models: <A HREF = "fix_qeq.html">QEq</A>, <A HREF = "Section_howto.html#howto_26">core/shell model</A>, <A HREF = "Section_howto.html#howto_27">Drude dipole model</A>
<LI> charge equilibration (QEq via dynamic, point, shielded, Slater methods)
<LI> electron force field (eFF, AWPMD)
<LI> coarse-grained potentials: DPD, GayBerne, REsquared, colloidal, DLVO
<LI> mesoscopic potentials: granular, Peridynamics, SPH
<LI> electron force field (eFF, AWPMD)
<LI> bond potentials: harmonic, FENE, Morse, nonlinear, class 2, quartic (breakable)
<LI> angle potentials: harmonic, CHARMM, cosine, cosine/squared, cosine/periodic, class 2 (COMPASS)
<LI> dihedral potentials: harmonic, CHARMM, multi-harmonic, helix, class 2 (COMPASS), OPLS
@ -156,10 +158,8 @@ commands)
<LI> polymer potentials: all-atom, united-atom, bead-spring, breakable
<LI> water potentials: TIP3P, TIP4P, SPC
<LI> implicit solvent potentials: hydrodynamic lubrication, Debye
<LI> <A HREF = "http://openkim.org">KIM archive</A> of potentials
<LI> long-range interactions for charge, point-dipoles, and LJ dispersion: Ewald, Wolf, PPPM (similar to particle-mesh Ewald)
<LI> force-field compatibility with common CHARMM, AMBER, DREIDING, OPLS, GROMACS, COMPASS options
<LI> handful of GPU-enabled pair styles
<LI> access to <A HREF = "http://openkim.org">KIM archive</A> of potentials via <A HREF = "pair_kim.html">pair kim</A>
<LI> hybrid potentials: multiple pair, bond, angle, dihedral, improper potentials can be used in one simulation
<LI> overlaid potentials: superposition of multiple pair potentials
</UL>