【LAMMPS学习】五、LAMMPS命令(６)Fix命令

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

所有 LAMMPS Fix命令的按字母顺序列于下表。有些形式有加速版本。这由括号中的附加字母表示：g = GPU、i = INTEL、k = KOKKOS、o = OPENMP、t = OPT。

accelerate/cos	acks2/reaxff (k)	adapt	adapt/fep	addforce
addtorque	alchemy	amoeba/bitorsion	amoeba/pitorsion	append/atoms
atc	atom/swap	ave/atom	ave/chunk	ave/correlate
ave/correlate/long	ave/grid	ave/histo	ave/histo/weight	ave/time
aveforce	balance	bocs	bond/break	bond/create
bond/create/angle	bond/react	bond/swap	box/relax	brownian
brownian/asphere	brownian/sphere	charge/regulation	cmap	colvars
controller	damping/cundall	deform (k)	deposit	dpd/energy (k)
drag	drude	drude/transform/direct	drude/transform/inverse	dt/reset (k)
edpd/source	efield (k)	efield/tip4p	ehex	electrode/conp (i)
electrode/conq (i)	electrode/thermo (i)	electron/stopping	electron/stopping/fit	enforce2d (k)
eos/cv	eos/table	eos/table/rx (k)	evaporate	external
ffl	filter/corotate	flow/gauss	freeze (k)	gcmc
gld	gle	gravity (ko)	grem	halt
heat	heat/flow	hyper/global	hyper/local	imd
indent	ipi	langevin (k)	langevin/drude	langevin/eff
langevin/spin	lb/fluid	lb/momentum	lb/viscous	lineforce
manifoldforce	mdi/qm	mdi/qmmm	meso/move	mol/swap
momentum (k)	momentum/chunk	move	msst	mvv/dpd
mvv/edpd	mvv/tdpd	neb	neb/spin	nonaffine/displacement
nph (ko)	nph/asphere (o)	nph/body	nph/eff	nph/sphere (o)
nphug	npt (giko)	npt/asphere (o)	npt/body	npt/cauchy
npt/eff	npt/sphere (o)	npt/uef	numdiff	numdiff/virial
nve (giko)	nve/asphere (gi)	nve/asphere/noforce	nve/awpmd	nve/body
nve/dot	nve/dotc/langevin	nve/eff	nve/limit	nve/line
nve/manifold/rattle	nve/noforce	nve/sphere (ko)	nve/bpm/sphere	nve/spin
nve/tri	nvk	nvt (giko)	nvt/asphere (o)	nvt/body
nvt/eff	nvt/manifold/rattle	nvt/sllod (iko)	nvt/sllod/eff	nvt/sphere (o)
nvt/uef	oneway	orient/bcc	orient/fcc	orient/eco
pafi	pair	phonon	pimd/langevin	pimd/nvt
planeforce	plumed	poems	polarize/bem/gmres	polarize/bem/icc
polarize/functional	pour	precession/spin	press/berendsen	press/langevin
print	propel/self	property/atom (k)	python/invoke	python/move
qbmsst	qeq/comb (o)	qeq/dynamic	qeq/fire	qeq/point
qeq/reaxff (ko)	qeq/shielded	qeq/slater	qmmm	qtb
rattle	reaxff/bonds (k)	reaxff/species (k)	recenter	restrain
rhok	rigid (o)	rigid/meso	rigid/nph (o)	rigid/nph/small
rigid/npt (o)	rigid/npt/small	rigid/nve (o)	rigid/nve/small	rigid/nvt (o)
rigid/nvt/small	rigid/small (o)	rx (k)	saed/vtk	setforce (k)
setforce/spin	sgcmc	shake (k)	shardlow (k)	smd
smd/adjust_dt	smd/integrate_tlsph	smd/integrate_ulsph	smd/move_tri_surf	smd/setvel
smd/wall_surface	sph	sph/stationary	spring	spring/chunk
spring/rg	spring/self (k)	srd	store/force	store/state
tdpd/source	temp/berendsen (k)	temp/csld	temp/csvr	temp/rescale (k)
temp/rescale/eff	tfmc	tgnpt/drude	tgnvt/drude	thermal/conductivity
ti/spring	tmd	ttm	ttm/grid	ttm/mod
tune/kspace	vector	viscosity	viscous (k)	viscous/sphere
wall/body/polygon	wall/body/polyhedron	wall/colloid	wall/ees	wall/gran (k)
wall/gran/region	wall/harmonic	wall/lj1043	wall/lj126	wall/lj93 (k)
wall/lepton	wall/morse	wall/piston	wall/reflect (k)	wall/reflect/stochastic
wall/region	wall/region/ees	wall/srd	wall/table	widom