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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11517 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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40
doc/fix.html
View File

@ -158,16 +158,30 @@ for further info.
<P>Each fix style has its own documentation page which describes its
arguments and what it does, as listed below. Here is an alphabetic
list of fix styles available in LAMMPS:
list of fix styles available in LAMMPS. They are also given in more
compact form in the fix section of <A HREF = "Section_commands.html#cmd_5">this
page</A>.
</P>
<P>There are also additional fix styles (not listed here) submitted by
users which are included in the LAMMPS distribution. The list of
these with links to the individual styles are given in the fix section
of <A HREF = "Section_commands.html#cmd_5">this page</A>.
</P>
<P>There are also additional accelerated fix styles (not listed here)
included in the LAMMPS distribution for faster performance on CPUs and
GPUs. The list of these with links to the individual styles are given
in the fix section of <A HREF = "Section_commands.html#cmd_5">this page</A>.
</P>
<UL><LI><A HREF = "fix_adapt.html">adapt</A> - change a simulation parameter over time
<LI><A HREF = "fix_addforce.html">addforce</A> - add a force to each atom
<LI><A HREF = "fix_append_atoms.html">append/atoms</A> - append atoms to a running simulation
<LI><A HREF = "fix_aveforce.html">aveforce</A> - add an averaged force to each atom
<LI><A HREF = "fix_ave_atom.html">ave/atom</A> - compute per-atom time-averaged quantities
<LI><A HREF = "fix_correlate_atom.html">ave/correlate</A> - compute/output time correlations
<LI><A HREF = "fix_ave_histo.html">ave/histo</A> - compute/output time-averaged histograms
<LI><A HREF = "fix_ave_spatial.html">ave/spatial</A> - compute/output time-averaged per-atom quantities by layer
<LI><A HREF = "fix_ave_time.html">ave/time</A> - compute/output global time-averaged quantities
<LI><A HREF = "fix_balance.html">balance</A> - perform dynamic load-balancing
<LI><A HREF = "fix_bond_break.html">bond/break</A> - break bonds on the fly
<LI><A HREF = "fix_bond_create.html">bond/create</A> - create bonds on the fly
<LI><A HREF = "fix_bond_swap.html">bond/swap</A> - Monte Carlo bond swapping
@ -181,8 +195,9 @@ list of fix styles available in LAMMPS:
<LI><A HREF = "fix_evaporate.html">evaporate</A> - remove atoms from simulation periodically
<LI><A HREF = "fix_external.html">external</A> - callback to an external driver program
<LI><A HREF = "fix_freeze.html">freeze</A> - freeze atoms in a granular simulation
<LI><A HREF = "fix_gravity.html">gravity</A> - add gravity to atoms in a granular simulation
<LI><A HREF = "fix_gcmc.html">gcmc</A> - grand canonical insertions/deletions
<LI><A HREF = "fix_gcmc.html">gld</A> - generalized Langevin dynamics integrator
<LI><A HREF = "fix_gravity.html">gravity</A> - add gravity to atoms in a granular simulation
<LI><A HREF = "fix_heat.html">heat</A> - add/subtract momentum-conserving heat
<LI><A HREF = "fix_indent.html">indent</A> - impose force due to an indenter
<LI><A HREF = "fix_langevin.html">langevin</A> - Langevin temperature control
@ -192,9 +207,9 @@ list of fix styles available in LAMMPS:
<LI><A HREF = "fix_msst.html">msst</A> - multi-scale shock technique (MSST) integration
<LI><A HREF = "fix_neb.html">neb</A> - nudged elastic band (NEB) spring forces
<LI><A HREF = "fix_nh.html">nph</A> - constant NPH time integration via Nose/Hoover
<LI><A HREF = "fix_nphug.html">nphug</A> - constant-stress Hugoniostat integration
<LI><A HREF = "fix_nph_asphere.html">nph/asphere</A> - NPH for aspherical particles
<LI><A HREF = "fix_nph_sphere.html">nph/sphere</A> - NPH for spherical particles
<LI><A HREF = "fix_nphug.html">nphug</A> - constant-stress Hugoniostat integration
<LI><A HREF = "fix_nh.html">npt</A> - constant NPT time integration via Nose/Hoover
<LI><A HREF = "fix_npt_asphere.html">npt/asphere</A> - NPT for aspherical particles
<LI><A HREF = "fix_npt_sphere.html">npt/sphere</A> - NPT for spherical particles
@ -214,18 +229,18 @@ list of fix styles available in LAMMPS:
<LI><A HREF = "fix_orient_fcc.html">orient/fcc</A> - add grain boundary migration force
<LI><A HREF = "fix_planeforce.html">planeforce</A> - constrain atoms to move in a plane
<LI><A HREF = "fix_poems.html">poems</A> - constrain clusters of atoms to move as coupled rigid bodies
<LI><A HREF = "fix_pour.html">pour</A> - pour new atoms into a granular simulation domain
<LI><A HREF = "fix_pour.html">pour</A> - pour new atoms/molecules into a granular simulation domain
<LI><A HREF = "fix_press_berendsen.html">press/berendsen</A> - pressure control by Berendsen barostat
<LI><A HREF = "fix_print.html">print</A> - print text and variables during a simulation
<LI><A HREF = "fix_property_atom.html">property/atom</A> - add customized per-atom values
<LI><A HREF = "fix_reax_bonds.html">reax/bonds</A> - write out ReaxFF bond information <A HREF = "fix_recenter.html">recenter</A> - constrain the center-of-mass position of a group of atoms
<LI><A HREF = "fix_qeq/comb.html">qeq/comb</A> - charge equilibration for COMB potential <A HREF = "fix_reax_bonds.html">reax/bonds</A> - write out ReaxFF bond information <A HREF = "fix_recenter.html">recenter</A> - constrain the center-of-mass position of a group of atoms
<LI><A HREF = "fix_restrain.html">restrain</A> - constrain a bond, angle, dihedral
<LI><A HREF = "fix_rigid.html">rigid</A> - constrain one or more clusters of atoms to move as a rigid body with NVE integration
<LI><A HREF = "fix_rigid.html">rigid/nph</A> - constrain one or more clusters of atoms to move as a rigid body with NPH integration
<LI><A HREF = "fix_rigid.html">rigid/npt</A> - constrain one or more clusters of atoms to move as a rigid body with NPT integration
<LI><A HREF = "fix_rigid.html">rigid/nve</A> - constrain one or more clusters of atoms to move as a rigid body with alternate NVE integration
<LI><A HREF = "fix_rigid.html">rigid/nvt</A> - constrain one or more clusters of atoms to move as a rigid body with NVT integration
<LI><A HREF = "fix_rigid.html">rigid</A> - constrain many small clusters of atoms to move as a rigid body with NVE integration
<LI><A HREF = "fix_rigid.html">rigid/small</A> - constrain many small clusters of atoms to move as a rigid body with NVE integration
<LI><A HREF = "fix_setforce.html">setforce</A> - set the force on each atom
<LI><A HREF = "fix_shake.html">shake</A> - SHAKE constraints on bonds and/or angles
<LI><A HREF = "fix_spring.html">spring</A> - apply harmonic spring force to group of atoms
@ -239,11 +254,14 @@ list of fix styles available in LAMMPS:
<LI><A HREF = "fix_thermal_conductivity.html">thermal/conductivity</A> - Muller-Plathe kinetic energy exchange for thermal conductivity calculation
<LI><A HREF = "fix_tmd.html">tmd</A> - guide a group of atoms to a new configuration
<LI><A HREF = "fix_ttm.html">ttm</A> - two-temperature model for electronic/atomic coupling
<LI><A HREF = "fix_tune_kspace.html">tune/kspace</A> - auto-tune KSpace parameters
<LI><A HREF = "vector.html">vector</A> - accumulate a global vector every N timesteps
<LI><A HREF = "fix_viscosity.html">viscosity</A> - Muller-Plathe momentum exchange for viscosity calculation
<LI><A HREF = "fix_viscous.html">viscous</A> - viscous damping for granular simulations
<LI><A HREF = "fix_wall.html">wall/colloid</A> - Lennard-Jones wall interacting with finite-size particles
<LI><A HREF = "fix_wall_gran.html">wall/gran</A> - frictional wall(s) for granular simulations
<LI><A HREF = "fix_wall.html">wall/harmonic</A> - harmonic spring wall
<LI><A HREF = "fix_wall.html">wall/lj1043</A> - Lennard-Jones 10-4-3 wall
<LI><A HREF = "fix_wall.html">wall/lj126</A> - Lennard-Jones 12-6 wall
<LI><A HREF = "fix_wall.html">wall/lj93</A> - Lennard-Jones 9-3 wall
<LI><A HREF = "fix_wall_piston.html">wall/piston</A> - moving reflective piston wall
@ -251,16 +269,6 @@ list of fix styles available in LAMMPS:
<LI><A HREF = "fix_wall_region.html">wall/region</A> - use region surface as wall
<LI><A HREF = "fix_wall_srd.html">wall/srd</A> - slip/no-slip wall for SRD particles
</UL>
<P>There are also additional fix styles submitted by users which are
included in the LAMMPS distribution. The list of these with links to
the individual styles are given in the fix section of <A HREF = "Section_commands.html#cmd_5">this
page</A>.
</P>
<P>There are also additional accelerated fix styles included in the
LAMMPS distribution for faster performance on CPUs and GPUs. The list
of these with links to the individual styles are given in the pair
section of <A HREF = "Section_commands.html#cmd_5">this page</A>.
</P>
<P><B>Restrictions:</B>
</P>
<P>Some fix styles are part of specific packages. They are only enabled

39
doc/fix.txt
View File

@ -153,16 +153,30 @@ for further info.
Each fix style has its own documentation page which describes its
arguments and what it does, as listed below. Here is an alphabetic
list of fix styles available in LAMMPS:
list of fix styles available in LAMMPS. They are also given in more
compact form in the fix section of "this
page"_Section_commands.html#cmd_5.
There are also additional fix styles (not listed here) submitted by
users which are included in the LAMMPS distribution. The list of
these with links to the individual styles are given in the fix section
of "this page"_Section_commands.html#cmd_5.
There are also additional accelerated fix styles (not listed here)
included in the LAMMPS distribution for faster performance on CPUs and
GPUs. The list of these with links to the individual styles are given
in the fix section of "this page"_Section_commands.html#cmd_5.
"adapt"_fix_adapt.html - change a simulation parameter over time
"addforce"_fix_addforce.html - add a force to each atom
"append/atoms"_fix_append_atoms.html - append atoms to a running simulation
"aveforce"_fix_aveforce.html - add an averaged force to each atom
"ave/atom"_fix_ave_atom.html - compute per-atom time-averaged quantities
"ave/correlate"_fix_correlate_atom.html - compute/output time correlations
"ave/histo"_fix_ave_histo.html - compute/output time-averaged histograms
"ave/spatial"_fix_ave_spatial.html - compute/output time-averaged per-atom quantities by layer
"ave/time"_fix_ave_time.html - compute/output global time-averaged quantities
"balance"_fix_balance.html - perform dynamic load-balancing
"bond/break"_fix_bond_break.html - break bonds on the fly
"bond/create"_fix_bond_create.html - create bonds on the fly
"bond/swap"_fix_bond_swap.html - Monte Carlo bond swapping
@ -176,8 +190,9 @@ list of fix styles available in LAMMPS:
"evaporate"_fix_evaporate.html - remove atoms from simulation periodically
"external"_fix_external.html - callback to an external driver program
"freeze"_fix_freeze.html - freeze atoms in a granular simulation
"gravity"_fix_gravity.html - add gravity to atoms in a granular simulation
"gcmc"_fix_gcmc.html - grand canonical insertions/deletions
"gld"_fix_gcmc.html - generalized Langevin dynamics integrator
"gravity"_fix_gravity.html - add gravity to atoms in a granular simulation
"heat"_fix_heat.html - add/subtract momentum-conserving heat
"indent"_fix_indent.html - impose force due to an indenter
"langevin"_fix_langevin.html - Langevin temperature control
@ -187,9 +202,9 @@ list of fix styles available in LAMMPS:
"msst"_fix_msst.html - multi-scale shock technique (MSST) integration
"neb"_fix_neb.html - nudged elastic band (NEB) spring forces
"nph"_fix_nh.html - constant NPH time integration via Nose/Hoover
"nphug"_fix_nphug.html - constant-stress Hugoniostat integration
"nph/asphere"_fix_nph_asphere.html - NPH for aspherical particles
"nph/sphere"_fix_nph_sphere.html - NPH for spherical particles
"nphug"_fix_nphug.html - constant-stress Hugoniostat integration
"npt"_fix_nh.html - constant NPT time integration via Nose/Hoover
"npt/asphere"_fix_npt_asphere.html - NPT for aspherical particles
"npt/sphere"_fix_npt_sphere.html - NPT for spherical particles
@ -210,11 +225,12 @@ list of fix styles available in LAMMPS:
"planeforce"_fix_planeforce.html - constrain atoms to move in a plane
"poems"_fix_poems.html - constrain clusters of atoms to move \
as coupled rigid bodies
"pour"_fix_pour.html - pour new atoms into a granular simulation domain
"pour"_fix_pour.html - pour new atoms/molecules into a granular simulation domain
"press/berendsen"_fix_press_berendsen.html - pressure control by \
Berendsen barostat
"print"_fix_print.html - print text and variables during a simulation
"property/atom"_fix_property_atom.html - add customized per-atom values
"qeq/comb"_fix_qeq/comb.html - charge equilibration for COMB potential \
"reax/bonds"_fix_reax_bonds.html - write out ReaxFF bond information \
"recenter"_fix_recenter.html - constrain the center-of-mass position \
of a group of atoms
@ -229,7 +245,7 @@ list of fix styles available in LAMMPS:
move as a rigid body with alternate NVE integration
"rigid/nvt"_fix_rigid.html - constrain one or more clusters of atoms to \
move as a rigid body with NVT integration
"rigid"_fix_rigid.html - constrain many small clusters of atoms to \
"rigid/small"_fix_rigid.html - constrain many small clusters of atoms to \
move as a rigid body with NVE integration
"setforce"_fix_setforce.html - set the force on each atom
"shake"_fix_shake.html - SHAKE constraints on bonds and/or angles
@ -248,12 +264,15 @@ list of fix styles available in LAMMPS:
thermal conductivity calculation
"tmd"_fix_tmd.html - guide a group of atoms to a new configuration
"ttm"_fix_ttm.html - two-temperature model for electronic/atomic coupling
"tune/kspace"_fix_tune_kspace.html - auto-tune KSpace parameters
"vector"_vector.html - accumulate a global vector every N timesteps
"viscosity"_fix_viscosity.html - Muller-Plathe momentum exchange for \
viscosity calculation
"viscous"_fix_viscous.html - viscous damping for granular simulations
"wall/colloid"_fix_wall.html - Lennard-Jones wall interacting with finite-size particles
"wall/gran"_fix_wall_gran.html - frictional wall(s) for granular simulations
"wall/harmonic"_fix_wall.html - harmonic spring wall
"wall/lj1043"_fix_wall.html - Lennard-Jones 10-4-3 wall
"wall/lj126"_fix_wall.html - Lennard-Jones 12-6 wall
"wall/lj93"_fix_wall.html - Lennard-Jones 9-3 wall
"wall/piston"_fix_wall_piston.html - moving reflective piston wall
@ -261,16 +280,6 @@ list of fix styles available in LAMMPS:
"wall/region"_fix_wall_region.html - use region surface as wall
"wall/srd"_fix_wall_srd.html - slip/no-slip wall for SRD particles :ul
There are also additional fix styles submitted by users which are
included in the LAMMPS distribution. The list of these with links to
the individual styles are given in the fix section of "this
page"_Section_commands.html#cmd_5.
There are also additional accelerated fix styles included in the
LAMMPS distribution for faster performance on CPUs and GPUs. The list
of these with links to the individual styles are given in the pair
section of "this page"_Section_commands.html#cmd_5.
[Restrictions:]
Some fix styles are part of specific packages. They are only enabled