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【LAMMPS学习】五、LAMMPS命令(8) Pair_style 势

时间:2024-03-29 12:32:42浏览次数:27  
标签:style cut LAMMPS lj long go gko Pair coul

 5. 命令 

本部分描述了 LAMMPS 输入脚本的格式以及其中的命令如何用于定义 LAMMPS 模拟。主要包括以下内容。

5.1. LAMMPS 输入脚本

5.2.输入脚本的解析规则

5.3.输入脚本结构

5.4. 按类别划分的命令

5.5.通用命令

5.6.Fix命令

5.7.compute命令

5.8.Pair_style 势

所有LAMMPS pair_style命令如下表所示。有些样式有加速版本。这由括号中的附加字母表示:g = GPU, i = INTEL, k = KOKKOS, o = OPENMP, t = OPT。

none

zero

hybrid (k)

hybrid/overlay (k)

hybrid/scaled

kim

list

tracker

adp (ko)

agni (o)

aip/water/2dm (t)

airebo (io)

airebo/morse (io)

amoeba (g)

atm

awpmd/cut

beck (go)

body/nparticle

body/rounded/polygon

body/rounded/polyhedron

bop

born (go)

born/coul/dsf

born/coul/dsf/cs

born/coul/long (go)

born/coul/long/cs (g)

born/coul/msm (o)

born/coul/wolf (go)

born/coul/wolf/cs (g)

born/gauss

bpm/spring

brownian (o)

brownian/poly (o)

buck (giko)

buck/coul/cut (giko)

buck/coul/long (giko)

buck/coul/long/cs

buck/coul/msm (o)

buck/long/coul/long (o)

buck/mdf

buck6d/coul/gauss/dsf

buck6d/coul/gauss/long

colloid (go)

comb (o)

comb3

cosine/squared

coul/cut (gko)

coul/cut/dielectric

coul/cut/global (o)

coul/cut/soft (o)

coul/debye (gko)

coul/diel (o)

coul/dsf (gko)

coul/exclude

coul/long (gko)

coul/long/cs (g)

coul/long/dielectric

coul/long/soft (o)

coul/msm (o)

coul/slater/cut

coul/slater/long (g)

coul/shield

coul/streitz

coul/tt

coul/wolf (ko)

coul/wolf/cs

dpd (giko)

dpd/fdt

dpd/ext (ko)

dpd/ext/tstat (ko)

dpd/fdt/energy (k)

dpd/tstat (gko)

dsmc

e3b

drip

eam (gikot)

eam/alloy (gikot)

eam/cd

eam/cd/old

eam/fs (gikot)

eam/he

edip (o)

edip/multi

edpd (g)

eff/cut

eim (o)

exp6/rx (k)

extep

gauss (go)

gauss/cut (o)

gayberne (gio)

gran/hertz/history (o)

gran/hooke (o)

gran/hooke/history (ko)

granular

gw

gw/zbl

harmonic/cut (o)

hbond/dreiding/lj (o)

hbond/dreiding/morse (o)

hdnnp

hippo (g)

ilp/graphene/hbn (t)

ilp/tmd (t)

kolmogorov/crespi/full

kolmogorov/crespi/z

lcbop

lebedeva/z

lennard/mdf

lepton (o)

lepton/coul (o)

lepton/sphere (o)

line/lj

lj/charmm/coul/charmm (giko)

lj/charmm/coul/charmm/implicit (ko)

lj/charmm/coul/long (gikot)

lj/charmm/coul/long/soft (o)

lj/charmm/coul/msm (o)

lj/charmmfsw/coul/charmmfsh

lj/charmmfsw/coul/long (k)

lj/class2 (gko)

lj/class2/coul/cut (ko)

lj/class2/coul/cut/soft

lj/class2/coul/long (gko)

lj/class2/coul/long/cs

lj/class2/coul/long/soft

lj/class2/soft

lj/cubic (go)

lj/cut (gikot)

lj/cut/coul/cut (gko)

lj/cut/coul/cut/dielectric (o)

lj/cut/coul/cut/soft (go)

lj/cut/coul/debye (gko)

lj/cut/coul/debye/dielectric (o)

lj/cut/coul/dsf (gko)

lj/cut/coul/long (gikot)

lj/cut/coul/long/cs

lj/cut/coul/long/dielectric (o)

lj/cut/coul/long/soft (go)

lj/cut/coul/msm (go)

lj/cut/coul/msm/dielectric

lj/cut/coul/wolf (o)

lj/cut/dipole/cut (gko)

lj/cut/dipole/long (g)

lj/cut/dipole/sf (go)

lj/cut/soft (o)

lj/cut/sphere (o)

lj/cut/thole/long (o)

lj/cut/tip4p/cut (o)

lj/cut/tip4p/long (got)

lj/cut/tip4p/long/soft (o)

lj/expand (gko)

lj/expand/coul/long (gk)

lj/expand/sphere (o)

lj/gromacs (gko)

lj/gromacs/coul/gromacs (ko)

lj/long/coul/long (iot)

lj/long/coul/long/dielectric

lj/long/dipole/long

lj/long/tip4p/long (o)

lj/mdf

lj/relres (o)

lj/spica (gko)

lj/spica/coul/long (go)

lj/spica/coul/msm (o)

lj/sf/dipole/sf (go)

lj/smooth (go)

lj/smooth/linear (o)

lj/switch3/coulgauss/long

lj96/cut (go)

local/density

lubricate (o)

lubricate/poly (o)

lubricateU

lubricateU/poly

mdpd (g)

mdpd/rhosum

meam (k)

meam/ms (k)

meam/spline (o)

meam/sw/spline

mesocnt

mesocnt/viscous

mgpt

mie/cut (g)

mliap (k)

mm3/switch3/coulgauss/long

momb

morse (gkot)

morse/smooth/linear (o)

morse/soft

multi/lucy

multi/lucy/rx (k)

nb3b/harmonic

nb3b/screened

nm/cut (o)

nm/cut/coul/cut (o)

nm/cut/coul/long (o)

nm/cut/split

oxdna/coaxstk

oxdna/excv

oxdna/hbond

oxdna/stk

oxdna/xstk

oxdna2/coaxstk

oxdna2/dh

oxdna2/excv

oxdna2/hbond

oxdna2/stk

oxdna2/xstk

oxrna2/excv

oxrna2/hbond

oxrna2/dh

oxrna2/stk

oxrna2/xstk

oxrna2/coaxstk

pace (k)

pace/extrapolation (k)

pod

peri/eps

peri/lps (o)

peri/pmb (o)

peri/ves

polymorphic

python

quip

rann

reaxff (ko)

rebo (io)

resquared (go)

saip/metal (t)

sdpd/taitwater/isothermal

smatb

smatb/single

smd/hertz

smd/tlsph

smd/tri_surface

smd/ulsph

smtbq

snap (ik)

soft (go)

sph/heatconduction (g)

sph/idealgas

sph/lj (g)

sph/rhosum

sph/taitwater (g)

sph/taitwater/morris

spin/dipole/cut

spin/dipole/long

spin/dmi

spin/exchange

spin/exchange/biquadratic

spin/magelec

spin/neel

srp

srp/react

sw (giko)

sw/angle/table

sw/mod (o)

table (gko)

table/rx (k)

tdpd

tersoff (giko)

tersoff/mod (gko)

tersoff/mod/c (o)

tersoff/table (o)

tersoff/zbl (gko)

thole

threebody/table

tip4p/cut (o)

tip4p/long (o)

tip4p/long/soft (o)

tri/lj

ufm (got)

vashishta (gko)

vashishta/table (o)

wf/cut

ylz

yukawa (gko)

yukawa/colloid (gko)

zbl (gko)

标签:style,cut,LAMMPS,lj,long,go,gko,Pair,coul
From: https://blog.csdn.net/monian000/article/details/137140408

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