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@2357 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2009-01-09 00:14:52 +00:00
parent 17092d4799
commit 674caeb328
16 changed files with 67 additions and 30 deletions
Download Patch File Download Diff File Expand all files Collapse all files

1
doc/Section_example.html
View File

@ -45,6 +45,7 @@ Site</A>.
<TR><TD >nemd</TD><TD > non-equilibrium MD of 2d sheared system</TD></TR> <TR><TD >nemd</TD><TD > non-equilibrium MD of 2d sheared system</TD></TR>
<TR><TD >obstacle</TD><TD > flow around two voids in a 2d channel</TD></TR> <TR><TD >obstacle</TD><TD > flow around two voids in a 2d channel</TD></TR>
<TR><TD >peptide</TD><TD > dynamics of a small solvated peptide chain (5-mer)</TD></TR> <TR><TD >peptide</TD><TD > dynamics of a small solvated peptide chain (5-mer)</TD></TR>
<TR><TD >peri</TD><TD > Peridynamics example of cylinder hit by projectile</TD></TR>
<TR><TD >pour</TD><TD > pouring of granular particles into a 3d box, then chute flow</TD></TR> <TR><TD >pour</TD><TD > pouring of granular particles into a 3d box, then chute flow</TD></TR>
<TR><TD >rigid</TD><TD > rigid bodies modeled as independent or coupled</TD></TR> <TR><TD >rigid</TD><TD > rigid bodies modeled as independent or coupled</TD></TR>
<TR><TD >shear</TD><TD > sideways shear applied to 2d solid, with and without a void <TR><TD >shear</TD><TD > sideways shear applied to 2d solid, with and without a void

1
doc/Section_example.txt
View File

@ -41,6 +41,7 @@ min: energy minimization of 2d LJ melt
nemd: non-equilibrium MD of 2d sheared system nemd: non-equilibrium MD of 2d sheared system
obstacle: flow around two voids in a 2d channel obstacle: flow around two voids in a 2d channel
peptide: dynamics of a small solvated peptide chain (5-mer) peptide: dynamics of a small solvated peptide chain (5-mer)
peri: Peridynamics example of cylinder hit by projectile
pour: pouring of granular particles into a 3d box, then chute flow pour: pouring of granular particles into a 3d box, then chute flow
rigid: rigid bodies modeled as independent or coupled rigid: rigid bodies modeled as independent or coupled
shear: sideways shear applied to 2d solid, with and without a void :tb(s=:) shear: sideways shear applied to 2d solid, with and without a void :tb(s=:)

1
doc/Section_history.html
View File

@ -32,7 +32,6 @@ are being worked on; some haven't been implemented because of lack of
time or interest; others are just a lot of work! time or interest; others are just a lot of work!
</P> </P>
<UL><LI>NPT with changing box shape (Parinello-Rahman) <UL><LI>NPT with changing box shape (Parinello-Rahman)
<LI>bond creation potentials
<LI>long-range point dipole solver <LI>long-range point dipole solver
<LI>torsional shear boundary conditions and temperature calculation <LI>torsional shear boundary conditions and temperature calculation
<LI>charge equilibration <LI>charge equilibration

1
doc/Section_history.txt
View File

@ -29,7 +29,6 @@ are being worked on; some haven't been implemented because of lack of
time or interest; others are just a lot of work! time or interest; others are just a lot of work!
NPT with changing box shape (Parinello-Rahman) NPT with changing box shape (Parinello-Rahman)
bond creation potentials
long-range point dipole solver long-range point dipole solver
torsional shear boundary conditions and temperature calculation torsional shear boundary conditions and temperature calculation
charge equilibration charge equilibration

28
doc/Section_intro.html
View File

@ -98,6 +98,21 @@ favorite interatomic potential, boundary condition, or atom type, see
<A HREF = "Section_modify.html">this section</A>, which describes how you can add it to <A HREF = "Section_modify.html">this section</A>, which describes how you can add it to
LAMMPS. LAMMPS.
</P> </P>
<P>General features: h4
</P>
<UL><LI> runs on a single processor or in parallel
<LI> distributed-memory message-passing parallelism (MPI)
<LI> spatial-decomposition of simulation domain for parallelism
<LI> open-source distribution
<LI> highly portable C++
<LI> optional libraries needed: MPI and single-processor FFT
<LI> easy to extend with new features and functionality
<LI> in parallel, run one or multiple simulations simultaneously
<LI> runs from an input script
<LI> syntax for defining and using variables and formulas
<LI> syntax for looping over runs and breaking out of loops
<LI> run a series of simluations from one script
</UL>
<H4>Kinds of systems LAMMPS can simulate: <H4>Kinds of systems LAMMPS can simulate:
</H4> </H4>
<P>(<A HREF = "atom_style.html">atom style</A> command) <P>(<A HREF = "atom_style.html">atom style</A> command)
@ -111,7 +126,7 @@ LAMMPS.
<LI> coarse-grained mesoscale models <LI> coarse-grained mesoscale models
<LI> ellipsoidal particles <LI> ellipsoidal particles
<LI> point dipolar particles <LI> point dipolar particles
<LI> hybrid systems <LI> hybrid combinations of these
</UL> </UL>
<H4>Force fields: <H4>Force fields:
</H4> </H4>
@ -123,7 +138,8 @@ commands)
<UL><LI> pairwise potentials: Lennard-Jones, Buckingham, Morse, Yukawa, soft, class 2 (COMPASS), tabulated <UL><LI> pairwise potentials: Lennard-Jones, Buckingham, Morse, Yukawa, soft, class 2 (COMPASS), tabulated
<LI> charged pairwise potentials: Coulombic, point-dipole <LI> charged pairwise potentials: Coulombic, point-dipole
<LI> manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), Stillinger-Weber, Tersoff, AI-REBO <LI> manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), Stillinger-Weber, Tersoff, AI-REBO
<LI> coarse-grain potentials: granular, DPD, GayBerne, REsquared, colloidal <LI> coarse-grain potentials: DPD, GayBerne, REsquared, colloidal
<LI> mesoscopic potentials: granular, Peridynamics
<LI> bond potentials: harmonic, FENE, Morse, nonlinear, class 2, quartic (breakable) <LI> bond potentials: harmonic, FENE, Morse, nonlinear, class 2, quartic (breakable)
<LI> angle potentials: harmonic, CHARMM, cosine, cosine/squared, class 2 (COMPASS) <LI> angle potentials: harmonic, CHARMM, cosine, cosine/squared, class 2 (COMPASS)
<LI> dihedral potentials: harmonic, CHARMM, multi-harmonic, helix, class 2 (COMPASS), OPLS <LI> dihedral potentials: harmonic, CHARMM, multi-harmonic, helix, class 2 (COMPASS), OPLS
@ -160,6 +176,7 @@ commands)
<LI> harmonic (umbrella) constraint forces <LI> harmonic (umbrella) constraint forces
<LI> independent or coupled rigid body integration <LI> independent or coupled rigid body integration
<LI> SHAKE bond and angle constraints <LI> SHAKE bond and angle constraints
<LI> bond breaking, formation, swapping
<LI> walls of various kinds <LI> walls of various kinds
<LI> targeted molecular dynamics (TMD) and steered molecule dynamics (SMD) constraints <LI> targeted molecular dynamics (TMD) and steered molecule dynamics (SMD) constraints
<LI> non-equilibrium molecular dynamics (NEMD) <LI> non-equilibrium molecular dynamics (NEMD)
@ -171,10 +188,9 @@ commands)
</P> </P>
<UL><LI> velocity-Verlet integrator <UL><LI> velocity-Verlet integrator
<LI> Brownian dynamics <LI> Brownian dynamics
<LI> energy minimization via conjugate gradient relaxation <LI> energy minimization via conjugate gradient or steepest descent relaxation
<LI> rRESPA hierarchical timestepping <LI> rRESPA hierarchical timestepping
<LI> parallel tempering (replica exchange) <LI> parallel tempering (replica exchange)
<LI> run multiple independent simulations simultaneously
</UL> </UL>
<H4>Output: <H4>Output:
</H4> </H4>
@ -455,6 +471,8 @@ the list.
<DIV ALIGN=center><TABLE BORDER=1 > <DIV ALIGN=center><TABLE BORDER=1 >
<TR><TD >Tersoff/ZBL potential </TD><TD > Dave Farrell (Northwestern U)</TD></TR>
<TR><TD >peridynamics </TD><TD > Mike Parks (Sandia)</TD></TR>
<TR><TD >fix smd for steered MD </TD><TD > Axel Kohlmeyer (U Penn)</TD></TR> <TR><TD >fix smd for steered MD </TD><TD > Axel Kohlmeyer (U Penn)</TD></TR>
<TR><TD >GROMACS pair potentials </TD><TD > Mark Stevens (Sandia)</TD></TR> <TR><TD >GROMACS pair potentials </TD><TD > Mark Stevens (Sandia)</TD></TR>
<TR><TD >lmp2vmd tool </TD><TD > Axel Kohlmeyer (U Penn)</TD></TR> <TR><TD >lmp2vmd tool </TD><TD > Axel Kohlmeyer (U Penn)</TD></TR>

28
doc/Section_intro.txt
View File

@ -95,6 +95,21 @@ favorite interatomic potential, boundary condition, or atom type, see
"this section"_Section_modify.html, which describes how you can add it to "this section"_Section_modify.html, which describes how you can add it to
LAMMPS. LAMMPS.
General features: h4
runs on a single processor or in parallel
distributed-memory message-passing parallelism (MPI)
spatial-decomposition of simulation domain for parallelism
open-source distribution
highly portable C++
optional libraries needed: MPI and single-processor FFT
easy to extend with new features and functionality
in parallel, run one or multiple simulations simultaneously
runs from an input script
syntax for defining and using variables and formulas
syntax for looping over runs and breaking out of loops
run a series of simluations from one script :ul
Kinds of systems LAMMPS can simulate: :h4 Kinds of systems LAMMPS can simulate: :h4
("atom style"_atom_style.html command) ("atom style"_atom_style.html command)
@ -107,7 +122,7 @@ Kinds of systems LAMMPS can simulate: :h4
coarse-grained mesoscale models coarse-grained mesoscale models
ellipsoidal particles ellipsoidal particles
point dipolar particles point dipolar particles
hybrid systems :ul hybrid combinations of these :ul
Force fields: :h4 Force fields: :h4
("pair style"_pair_style.html, "bond style"_bond_style.html, ("pair style"_pair_style.html, "bond style"_bond_style.html,
@ -120,7 +135,8 @@ commands)
charged pairwise potentials: Coulombic, point-dipole charged pairwise potentials: Coulombic, point-dipole
manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), \ manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), \
Stillinger-Weber, Tersoff, AI-REBO Stillinger-Weber, Tersoff, AI-REBO
coarse-grain potentials: granular, DPD, GayBerne, REsquared, colloidal coarse-grain potentials: DPD, GayBerne, REsquared, colloidal
mesoscopic potentials: granular, Peridynamics
bond potentials: harmonic, FENE, Morse, nonlinear, class 2, \ bond potentials: harmonic, FENE, Morse, nonlinear, class 2, \
quartic (breakable) quartic (breakable)
angle potentials: harmonic, CHARMM, cosine, cosine/squared, \ angle potentials: harmonic, CHARMM, cosine, cosine/squared, \
@ -160,6 +176,7 @@ Ensembles, constraints, and boundary conditions: :h4
harmonic (umbrella) constraint forces harmonic (umbrella) constraint forces
independent or coupled rigid body integration independent or coupled rigid body integration
SHAKE bond and angle constraints SHAKE bond and angle constraints
bond breaking, formation, swapping
walls of various kinds walls of various kinds
targeted molecular dynamics (TMD) and steered molecule dynamics (SMD) constraints targeted molecular dynamics (TMD) and steered molecule dynamics (SMD) constraints
non-equilibrium molecular dynamics (NEMD) non-equilibrium molecular dynamics (NEMD)
@ -170,10 +187,9 @@ Integrators: :h4
velocity-Verlet integrator velocity-Verlet integrator
Brownian dynamics Brownian dynamics
energy minimization via conjugate gradient relaxation energy minimization via conjugate gradient or steepest descent relaxation
rRESPA hierarchical timestepping rRESPA hierarchical timestepping
parallel tempering (replica exchange) parallel tempering (replica exchange) :ul
run multiple independent simulations simultaneously :ul
Output: :h4 Output: :h4
("dump"_dump.html, "restart"_restart.html commands) ("dump"_dump.html, "restart"_restart.html commands)
@ -441,6 +457,8 @@ the list.
:link(sjp,http://www.cs.sandia.gov/~sjplimp) :link(sjp,http://www.cs.sandia.gov/~sjplimp)
Tersoff/ZBL potential : Dave Farrell (Northwestern U)
peridynamics : Mike Parks (Sandia)
fix smd for steered MD : Axel Kohlmeyer (U Penn) fix smd for steered MD : Axel Kohlmeyer (U Penn)
GROMACS pair potentials : Mark Stevens (Sandia) GROMACS pair potentials : Mark Stevens (Sandia)
lmp2vmd tool : Axel Kohlmeyer (U Penn) lmp2vmd tool : Axel Kohlmeyer (U Penn)

1
doc/Section_start.html
View File

@ -297,6 +297,7 @@ typing "make package".
<TR><TD >meam </TD><TD > modified embedded atom method (MEAM) potential</TD></TR> <TR><TD >meam </TD><TD > modified embedded atom method (MEAM) potential</TD></TR>
<TR><TD >molecule </TD><TD > force fields for molecular systems</TD></TR> <TR><TD >molecule </TD><TD > force fields for molecular systems</TD></TR>
<TR><TD >opt </TD><TD > optimized versions of a few pair potentials</TD></TR> <TR><TD >opt </TD><TD > optimized versions of a few pair potentials</TD></TR>
<TR><TD >peri </TD><TD > Peridynamics model and potential</TD></TR>
<TR><TD >poems </TD><TD > coupled rigid body motion</TD></TR> <TR><TD >poems </TD><TD > coupled rigid body motion</TD></TR>
<TR><TD >xtc </TD><TD > dump atom snapshots in XTC format <TR><TD >xtc </TD><TD > dump atom snapshots in XTC format
</TD></TR></TABLE></DIV> </TD></TR></TABLE></DIV>

1
doc/Section_start.txt
View File

@ -291,6 +291,7 @@ manybody : metal, 3-body, bond-order potentials
meam : modified embedded atom method (MEAM) potential meam : modified embedded atom method (MEAM) potential
molecule : force fields for molecular systems molecule : force fields for molecular systems
opt : optimized versions of a few pair potentials opt : optimized versions of a few pair potentials
peri : Peridynamics model and potential
poems : coupled rigid body motion poems : coupled rigid body motion
xtc : dump atom snapshots in XTC format :tb(s=:) xtc : dump atom snapshots in XTC format :tb(s=:)

1
doc/compute.html
View File

@ -127,7 +127,6 @@ available in LAMMPS:
<LI><A HREF = "compute_temp_asphere.html">temp/asphere</A> - temperature of aspherical particles <LI><A HREF = "compute_temp_asphere.html">temp/asphere</A> - temperature of aspherical particles
<LI><A HREF = "compute_temp_com.html">temp/com</A> - temperature after subtracting center-of-mass velocity <LI><A HREF = "compute_temp_com.html">temp/com</A> - temperature after subtracting center-of-mass velocity
<LI><A HREF = "compute_temp_deform.html">temp/deform</A> - temperature excluding box deformation velocity <LI><A HREF = "compute_temp_deform.html">temp/deform</A> - temperature excluding box deformation velocity
<LI><A HREF = "compute_temp_dipole.html">temp/dipole</A> - temperature of point dipolar particles
<LI><A HREF = "compute_temp_partial.html">temp/partial</A> - temperature excluding one or more dimensions of velocity <LI><A HREF = "compute_temp_partial.html">temp/partial</A> - temperature excluding one or more dimensions of velocity
<LI><A HREF = "compute_temp_ramp.html">temp/ramp</A> - temperature excluding ramped velocity component <LI><A HREF = "compute_temp_ramp.html">temp/ramp</A> - temperature excluding ramped velocity component
<LI><A HREF = "compute_temp_region.html">temp/region</A> - temperature of a region of atoms <LI><A HREF = "compute_temp_region.html">temp/region</A> - temperature of a region of atoms

1
doc/compute.txt
View File

@ -124,7 +124,6 @@ available in LAMMPS:
"temp/asphere"_compute_temp_asphere.html - temperature of aspherical particles "temp/asphere"_compute_temp_asphere.html - temperature of aspherical particles
"temp/com"_compute_temp_com.html - temperature after subtracting center-of-mass velocity "temp/com"_compute_temp_com.html - temperature after subtracting center-of-mass velocity
"temp/deform"_compute_temp_deform.html - temperature excluding box deformation velocity "temp/deform"_compute_temp_deform.html - temperature excluding box deformation velocity
"temp/dipole"_compute_temp_dipole.html - temperature of point dipolar particles
"temp/partial"_compute_temp_partial.html - temperature excluding one or more dimensions of velocity "temp/partial"_compute_temp_partial.html - temperature excluding one or more dimensions of velocity
"temp/ramp"_compute_temp_ramp.html - temperature excluding ramped velocity component "temp/ramp"_compute_temp_ramp.html - temperature excluding ramped velocity component
"temp/region"_compute_temp_region.html - temperature of a region of atoms "temp/region"_compute_temp_region.html - temperature of a region of atoms

7
doc/fix_wall_gran.html
View File

@ -35,11 +35,12 @@
<LI>args = list of arguments for a particular style <LI>args = list of arguments for a particular style
<LI> <I>xplane</I> or <I>yplane</I> or <I>zplane</I> args = lo hi <PRE> <I>xplane</I> or <I>yplane</I> or <I>zplane</I> args = lo hi
lo,hi = position of lower and upper plane (distance units), either can be NULL) lo,hi = position of lower and upper plane (distance units), either can be NULL)
<I>zcylinder</I> args = radius <I>zcylinder</I> args = radius
radius = cylinder radius (distance units) radius = cylinder radius (distance units)
zero or more keyword/value pairs may be appended to args </PRE>
<LI>zero or more keyword/value pairs may be appended to args
<LI>keyword = <I>wiggle</I> or <I>shear</I> <LI>keyword = <I>wiggle</I> or <I>shear</I>

2
doc/fix_wall_gran.txt
View File

@ -25,7 +25,7 @@ args = list of arguments for a particular style :l
{xplane} or {yplane} or {zplane} args = lo hi {xplane} or {yplane} or {zplane} args = lo hi
lo,hi = position of lower and upper plane (distance units), either can be NULL) lo,hi = position of lower and upper plane (distance units), either can be NULL)
{zcylinder} args = radius {zcylinder} args = radius
radius = cylinder radius (distance units) radius = cylinder radius (distance units) :pre
zero or more keyword/value pairs may be appended to args :l zero or more keyword/value pairs may be appended to args :l
keyword = {wiggle} or {shear} :l keyword = {wiggle} or {shear} :l
{wiggle} values = dim amplitude period {wiggle} values = dim amplitude period

6
doc/pair_coeff.html
View File

@ -105,9 +105,9 @@ the pair_style command, and coefficients specified by the associated
<LI><A HREF = "pair_eam.html">pair_style eam/fs</A> - Finnis-Sinclair EAM <LI><A HREF = "pair_eam.html">pair_style eam/fs</A> - Finnis-Sinclair EAM
<LI><A HREF = "pair_eam.html">pair_style eam/fs/opt</A> - optimized version of Finnis-Sinclair EAM <LI><A HREF = "pair_eam.html">pair_style eam/fs/opt</A> - optimized version of Finnis-Sinclair EAM
<LI><A HREF = "pair_gayberne.html">pair_style gayberne</A> - Gay-Berne ellipsoidal potential <LI><A HREF = "pair_gayberne.html">pair_style gayberne</A> - Gay-Berne ellipsoidal potential
<LI><A HREF = "pair_gran.html">pair_style gran/hertzian</A> - granular potential with Hertzian interactions <LI><A HREF = "pair_gran.html">pair_style gran/hertz/history</A> - granular potential with Hertzian interactions
<LI><A HREF = "pair_gran.html">pair_style gran/history</A> - granular potential with history effects <LI><A HREF = "pair_gran.html">pair_style gran/hooke</A> - granular potential with history effects
<LI><A HREF = "pair_gran.html">pair_style gran/no_history</A> - granular potential without history effects <LI><A HREF = "pair_gran.html">pair_style gran/hooke/history</A> - granular potential without history effects
<LI><A HREF = "pair_charmm.html">pair_style lj/charmm/coul/charmm</A> - CHARMM potential with cutoff Coulomb <LI><A HREF = "pair_charmm.html">pair_style lj/charmm/coul/charmm</A> - CHARMM potential with cutoff Coulomb
<LI><A HREF = "pair_charmm.html">pair_style lj/charmm/coul/charmm/implicit</A> - CHARMM for implicit solvent <LI><A HREF = "pair_charmm.html">pair_style lj/charmm/coul/charmm/implicit</A> - CHARMM for implicit solvent
<LI><A HREF = "pair_charmm.html">pair_style lj/charmm/coul/long</A> - CHARMM with long-range Coulomb <LI><A HREF = "pair_charmm.html">pair_style lj/charmm/coul/long</A> - CHARMM with long-range Coulomb

6
doc/pair_coeff.txt
View File

@ -101,9 +101,9 @@ the pair_style command, and coefficients specified by the associated
"pair_style eam/fs"_pair_eam.html - Finnis-Sinclair EAM "pair_style eam/fs"_pair_eam.html - Finnis-Sinclair EAM
"pair_style eam/fs/opt"_pair_eam.html - optimized version of Finnis-Sinclair EAM "pair_style eam/fs/opt"_pair_eam.html - optimized version of Finnis-Sinclair EAM
"pair_style gayberne"_pair_gayberne.html - Gay-Berne ellipsoidal potential "pair_style gayberne"_pair_gayberne.html - Gay-Berne ellipsoidal potential
"pair_style gran/hertzian"_pair_gran.html - granular potential with Hertzian interactions "pair_style gran/hertz/history"_pair_gran.html - granular potential with Hertzian interactions
"pair_style gran/history"_pair_gran.html - granular potential with history effects "pair_style gran/hooke"_pair_gran.html - granular potential with history effects
"pair_style gran/no_history"_pair_gran.html - granular potential without history effects "pair_style gran/hooke/history"_pair_gran.html - granular potential without history effects
"pair_style lj/charmm/coul/charmm"_pair_charmm.html - CHARMM potential with cutoff Coulomb "pair_style lj/charmm/coul/charmm"_pair_charmm.html - CHARMM potential with cutoff Coulomb
"pair_style lj/charmm/coul/charmm/implicit"_pair_charmm.html - CHARMM for implicit solvent "pair_style lj/charmm/coul/charmm/implicit"_pair_charmm.html - CHARMM for implicit solvent
"pair_style lj/charmm/coul/long"_pair_charmm.html - CHARMM with long-range Coulomb "pair_style lj/charmm/coul/long"_pair_charmm.html - CHARMM with long-range Coulomb

6
doc/pair_style.html
View File

@ -107,9 +107,9 @@ the pair_style command, and coefficients specified by the associated
<LI><A HREF = "pair_eam.html">pair_style eam/fs</A> - Finnis-Sinclair EAM <LI><A HREF = "pair_eam.html">pair_style eam/fs</A> - Finnis-Sinclair EAM
<LI><A HREF = "pair_eam.html">pair_style eam/fs/opt</A> - optimized version of Finnis-Sinclair EAM <LI><A HREF = "pair_eam.html">pair_style eam/fs/opt</A> - optimized version of Finnis-Sinclair EAM
<LI><A HREF = "pair_gayberne.html">pair_style gayberne</A> - Gay-Berne ellipsoidal potential <LI><A HREF = "pair_gayberne.html">pair_style gayberne</A> - Gay-Berne ellipsoidal potential
<LI><A HREF = "pair_gran.html">pair_style gran/hertzian</A> - granular potential with Hertzian interactions <LI><A HREF = "pair_gran.html">pair_style gran/hertz/history</A> - granular potential with Hertzian interactions
<LI><A HREF = "pair_gran.html">pair_style gran/history</A> - granular potential with history effects <LI><A HREF = "pair_gran.html">pair_style gran/hooke</A> - granular potential with history effects
<LI><A HREF = "pair_gran.html">pair_style gran/no_history</A> - granular potential without history effects <LI><A HREF = "pair_gran.html">pair_style gran/hooke/history</A> - granular potential without history effects
<LI><A HREF = "pair_charmm.html">pair_style lj/charmm/coul/charmm</A> - CHARMM potential with cutoff Coulomb <LI><A HREF = "pair_charmm.html">pair_style lj/charmm/coul/charmm</A> - CHARMM potential with cutoff Coulomb
<LI><A HREF = "pair_charmm.html">pair_style lj/charmm/coul/charmm/implicit</A> - CHARMM for implicit solvent <LI><A HREF = "pair_charmm.html">pair_style lj/charmm/coul/charmm/implicit</A> - CHARMM for implicit solvent
<LI><A HREF = "pair_charmm.html">pair_style lj/charmm/coul/long</A> - CHARMM with long-range Coulomb <LI><A HREF = "pair_charmm.html">pair_style lj/charmm/coul/long</A> - CHARMM with long-range Coulomb

6
doc/pair_style.txt
View File

@ -103,9 +103,9 @@ the pair_style command, and coefficients specified by the associated
"pair_style eam/fs"_pair_eam.html - Finnis-Sinclair EAM "pair_style eam/fs"_pair_eam.html - Finnis-Sinclair EAM
"pair_style eam/fs/opt"_pair_eam.html - optimized version of Finnis-Sinclair EAM "pair_style eam/fs/opt"_pair_eam.html - optimized version of Finnis-Sinclair EAM
"pair_style gayberne"_pair_gayberne.html - Gay-Berne ellipsoidal potential "pair_style gayberne"_pair_gayberne.html - Gay-Berne ellipsoidal potential
"pair_style gran/hertzian"_pair_gran.html - granular potential with Hertzian interactions "pair_style gran/hertz/history"_pair_gran.html - granular potential with Hertzian interactions
"pair_style gran/history"_pair_gran.html - granular potential with history effects "pair_style gran/hooke"_pair_gran.html - granular potential with history effects
"pair_style gran/no_history"_pair_gran.html - granular potential without history effects "pair_style gran/hooke/history"_pair_gran.html - granular potential without history effects
"pair_style lj/charmm/coul/charmm"_pair_charmm.html - CHARMM potential with cutoff Coulomb "pair_style lj/charmm/coul/charmm"_pair_charmm.html - CHARMM potential with cutoff Coulomb
"pair_style lj/charmm/coul/charmm/implicit"_pair_charmm.html - CHARMM for implicit solvent "pair_style lj/charmm/coul/charmm/implicit"_pair_charmm.html - CHARMM for implicit solvent
"pair_style lj/charmm/coul/long"_pair_charmm.html - CHARMM with long-range Coulomb "pair_style lj/charmm/coul/long"_pair_charmm.html - CHARMM with long-range Coulomb