Merge branch 'e3b' of github.com:sstrong99/lammps into e3b

organic molecules, inorganic small molecules, and polymers which was

developed using ab initio and empirical parameterization techniques.

See the "Tools"_Tools.html doc page for the msi2lmp tool for creating

LAMMPS template input and data files from BIOVIA’s Materials Studio

LAMMPS template input and data files from BIOVIA's Materials Studio

files.  Please note that the msi2lmp tool is very old and largely

unmaintained, so it does not support all features of Materials Studio

provided force field files, especially additions during the last decade.

Spellmeyer, Fox, Caldwell, Kollman, JACS 117, 5179-5197 (1995).

:link(howto-Sun)

[(Sun)] Sun, J. Phys. Chem. B, 102, 7338–7364 (1998).

[(Sun)] Sun, J. Phys. Chem. B, 102, 7338-7364 (1998).

:link(howto-Mayo)

[(Mayo)] Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909

accumulated in a vector via the "fix vector"_fix_vector.html command,

and time integrated via the "variable trap"_variable.html function,

and thus extract D.

:line

compute_pair_local.html

compute_pe.html

compute_pe_atom.html

compute_pe_e3b.html

compute_plasticity_atom.html

compute_pressure.html

compute_pressure_cylinder.html

pair_dpd.html

pair_dpd_fdt.html

pair_dsmc.html

pair_e3b.html

pair_eam.html

pair_edip.html

pair_eff.html

eam

eangle

eatom

Eb

Eba

ebond

ebook