forked from lijiext/lammps
Merge pull request #1611 from evoyiatzis/patch-1
small clean-up of fix.txt
This commit is contained in:
Axel Kohlmeyer
GitHub
commit
828ddfd957
137
doc/src/fix.txt
137
doc/src/fix.txt
|
|
@ -165,40 +165,40 @@ page are followed by one or more of (g,i,k,o,t) to indicate which
|
|||
accelerated styles exist.
|
||||
|
||||
"adapt"_fix_adapt.html - change a simulation parameter over time
|
||||
"adapt/fep"_fix_adapt_fep.html -
|
||||
"adapt/fep"_fix_adapt_fep.html - enhanced version of fix adapt
|
||||
"addforce"_fix_addforce.html - add a force to each atom
|
||||
"addtorque"_fix_addtorque.html -
|
||||
"addtorque"_fix_addtorque.html - add a torque to a group of atoms
|
||||
"append/atoms"_fix_append_atoms.html - append atoms to a running simulation
|
||||
"atc"_fix_atc.html -
|
||||
"atc"_fix_atc.html - initiates a coupled MD/FE simulation
|
||||
"atom/swap"_fix_atom_swap.html - Monte Carlo atom type swapping
|
||||
"ave/atom"_fix_ave_atom.html - compute per-atom time-averaged quantities
|
||||
"ave/chunk"_fix_ave_chunk.html - compute per-chunk time-averaged quantities
|
||||
"ave/correlate"_fix_ave_correlate.html - compute/output time correlations
|
||||
"ave/correlate/long"_fix_ave_correlate_long.html -
|
||||
"ave/histo"_fix_ave_histo.html - compute/output time-averaged histograms
|
||||
"ave/histo/weight"_fix_ave_histo.html -
|
||||
"ave/histo/weight"_fix_ave_histo.html - weighted version of fix ave/histo
|
||||
"ave/time"_fix_ave_time.html - compute/output global time-averaged quantities
|
||||
"aveforce"_fix_aveforce.html - add an averaged force to each atom
|
||||
"balance"_fix_balance.html - perform dynamic load-balancing
|
||||
"bocs"_fix_bocs.html -
|
||||
"bocs"_fix_bocs.html - NPT style time integration with pressure correction
|
||||
"bond/break"_fix_bond_break.html - break bonds on the fly
|
||||
"bond/create"_fix_bond_create.html - create bonds on the fly
|
||||
"bond/react"_fix_bond_react.html -
|
||||
"bond/react"_fix_bond_react.html - apply topology changes to model reactions
|
||||
"bond/swap"_fix_bond_swap.html - Monte Carlo bond swapping
|
||||
"box/relax"_fix_box_relax.html - relax box size during energy minimization
|
||||
"client/md"_fix_client_md.html -
|
||||
"cmap"_fix_cmap.html -
|
||||
"colvars"_fix_colvars.html -
|
||||
"controller"_fix_controller.html -
|
||||
"client/md"_fix_client_md.html - MD client for client/server simulations
|
||||
"cmap"_fix_cmap.html - enables CMAP cross-terms of the CHARMM force field
|
||||
"colvars"_fix_colvars.html - interface to the collective variables “Colvars” library
|
||||
"controller"_fix_controller.html - apply control loop feedback mechanism
|
||||
"deform"_fix_deform.html - change the simulation box size/shape
|
||||
"deposit"_fix_deposit.html - add new atoms above a surface
|
||||
"dpd/energy"_fix_dpd_energy.html -
|
||||
"dpd/energy"_fix_dpd_energy.html - constant energy dissipative particle dynamics
|
||||
"drag"_fix_drag.html - drag atoms towards a defined coordinate
|
||||
"drude"_fix_drude.html -
|
||||
"drude/transform/direct"_fix_drude_transform.html -
|
||||
"drude/transform/inverse"_fix_drude_transform.html -
|
||||
"drude"_fix_drude.html - part of Drude oscillator polarization model
|
||||
"drude/transform/direct"_fix_drude_transform.html - part of Drude oscillator polarization model
|
||||
"drude/transform/inverse"_fix_drude_transform.html - part of Drude oscillator polarization model
|
||||
"dt/reset"_fix_dt_reset.html - reset the timestep based on velocity, forces
|
||||
"edpd/source"_fix_dpd_source.html -
|
||||
"edpd/source"_fix_dpd_source.html - add heat source to eDPD simulations
|
||||
"efield"_fix_efield.html - impose electric field on system
|
||||
"ehex"_fix_ehex.html - enhanced heat exchange algorithm
|
||||
"electron/stopping"_fix_electron_stopping.html - electronic stopping power as a friction force
|
||||
|
|
@ -208,27 +208,26 @@ accelerated styles exist.
|
|||
"eos/table/rx"_fix_eos_table_rx.html -
|
||||
"evaporate"_fix_evaporate.html - remove atoms from simulation periodically
|
||||
"external"_fix_external.html - callback to an external driver program
|
||||
"ffl"_fix_ffl.html -
|
||||
"filter/corotate"_fix_filter_corotate.html -
|
||||
"flow/gauss"_fix_flow_gauss.html -
|
||||
"ffl"_fix_ffl.html - apply a Fast-Forward Langevin equation thermostat
|
||||
"filter/corotate"_fix_filter_corotate.html - implement corotation filter to allow larger timesteps with r-RESPA
|
||||
"flow/gauss"_fix_flow_gauss.html - Gaussian dynamics for constant mass flux
|
||||
"freeze"_fix_freeze.html - freeze atoms in a granular simulation
|
||||
"gcmc"_fix_gcmc.html - grand canonical insertions/deletions
|
||||
"gld"_fix_gcmc.html - generalized Langevin dynamics integrator
|
||||
"gld"_fix_gld.html -
|
||||
"gle"_fix_gle.html -
|
||||
"gld"_fix_gld.html - generalized Langevin dynamics integrator
|
||||
"gle"_fix_gle.html - generalized Langevin equation thermostat
|
||||
"gravity"_fix_gravity.html - add gravity to atoms in a granular simulation
|
||||
"grem"_fix_grem.html -
|
||||
"grem"_fix_grem.html - implements the generalized replica exchange method
|
||||
"halt"_fix_halt.html - terminate a dynamics run or minimization
|
||||
"heat"_fix_heat.html - add/subtract momentum-conserving heat
|
||||
"hyper/global"_fix_hyper_global.html - global hyperdynamics
|
||||
"hyper/local"_fix_hyper_local.html - local hyperdynamics
|
||||
"imd"_fix_imd.html -
|
||||
"imd"_fix_imd.html - implements the “Interactive MD” (IMD) protocol
|
||||
"indent"_fix_indent.html - impose force due to an indenter
|
||||
"ipi"_fix_ipi.html -
|
||||
"ipi"_fix_ipi.html - enable LAMMPS to run as a client for i-PI path-integral simulations
|
||||
"langevin"_fix_langevin.html - Langevin temperature control
|
||||
"langevin/drude"_fix_langevin_drude.html -
|
||||
"langevin/eff"_fix_langevin_eff.html -
|
||||
"langevin/spin"_fix_langevin_spin.html -
|
||||
"langevin/drude"_fix_langevin_drude.html - Langevin temperature control of Drude oscillators
|
||||
"langevin/eff"_fix_langevin_eff.html - Langevin temperature control for the electron force field model
|
||||
"langevin/spin"_fix_langevin_spin.html - Langevin temperature control for a spin or spin-lattice system
|
||||
"latte"_fix_latte.html - wrapper on LATTE density-functional tight-binding code
|
||||
"lb/fluid"_fix_lb_fluid.html -
|
||||
"lb/momentum"_fix_lb_momentum.html -
|
||||
|
|
@ -236,64 +235,60 @@ accelerated styles exist.
|
|||
"lb/rigid/pc/sphere"_fix_lb_rigid_pc_sphere.html -
|
||||
"lb/viscous"_fix_lb_viscous.html -
|
||||
"lineforce"_fix_lineforce.html - constrain atoms to move in a line
|
||||
"manifoldforce"_fix_manifoldforce.html -
|
||||
"meso"_fix_meso.html -
|
||||
"meso"_fix_meso_move.html - move mesoscopic SPH/SDPD particles in a prescribed fashion
|
||||
"meso/move"_fix_meso_move.html -
|
||||
"manifoldforce"_fix_manifoldforce.html - restrain atoms to a manifold during minimization
|
||||
"meso"_fix_meso.html - time integration for SPH/DPDE particles
|
||||
"meso/move"_fix_meso_move.html - move mesoscopic SPH/SDPD particles in a prescribed fashion
|
||||
"meso/stationary"_fix_meso_stationary.html -
|
||||
"momentum"_fix_momentum.html - zero the linear and/or angular momentum of a group of atoms
|
||||
"move"_fix_move.html - move atoms in a prescribed fashion
|
||||
"mscg"_fix_mscg.html -
|
||||
"mscg"_fix_mscg.html - apply MSCG method for force-matching to generate coarse grain models
|
||||
"msst"_fix_msst.html - multi-scale shock technique (MSST) integration
|
||||
"mvv/dpd"_fix_mvv_dpd.html -
|
||||
"mvv/edpd"_fix_mvv_dpd.html -
|
||||
"mvv/tdpd"_fix_mvv_dpd.html -
|
||||
"mvv/dpd"_fix_mvv_dpd.html - DPD using the modified velocity-Verlet integration algorithm
|
||||
"mvv/edpd"_fix_mvv_dpd.html - constant energy DPD using the modified velocity-Verlet algrithm
|
||||
"mvv/tdpd"_fix_mvv_dpd.html - constant temperature DPD using the modified velocity-Verlet algorithm
|
||||
"neb"_fix_neb.html - nudged elastic band (NEB) spring forces
|
||||
"nph"_fix_nh.html - constant NPH time integration via Nose/Hoover
|
||||
"nph/asphere"_fix_nph_asphere.html - NPH for aspherical particles
|
||||
"nph/body"_fix_nph_body.html -
|
||||
"nph/body"_fix_nve_body.html - NPH for body particles
|
||||
"nph/eff"_fix_nh_eff.html -
|
||||
"nph/body"_fix_nph_body.html - NPH for body particles
|
||||
"nph/eff"_fix_nh_eff.html - NPH for nuclei and electrons in the electron force field model
|
||||
"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/body"_fix_npt_body.html -
|
||||
"npt/body"_fix_nve_body.html - NPT for body particles
|
||||
"npt/eff"_fix_nh_eff.html -
|
||||
"npt/body"_fix_npt_body.html - NPT for body particles
|
||||
"npt/eff"_fix_nh_eff.html - NPT for nuclei and electrons in the electron force field model
|
||||
"npt/sphere"_fix_npt_sphere.html - NPT for spherical particles
|
||||
"npt/uef"_fix_nh_uef.html -
|
||||
"npt/uef"_fix_nh_uef.html - NPT style time integration with diagonal flow
|
||||
"nve"_fix_nve.html - constant NVE time integration
|
||||
"nve/asphere"_fix_nve_asphere.html - NVE for aspherical particles
|
||||
"nve/asphere/noforce"_fix_nve_asphere_noforce.html - NVE for aspherical particles without forces"
|
||||
"nve/awpmd"_fix_nve_awpmd.html -
|
||||
"nve/asphere/noforce"_fix_nve_asphere_noforce.html - NVE for aspherical particles without forces
|
||||
"nve/awpmd"_fix_nve_awpmd.html - NVE for the Antisymmetrized Wave Packet Molecular Dynamics model
|
||||
"nve/body"_fix_nve_body.html - NVE for body particles
|
||||
"nve/dot"_fix_nve_dot.html -
|
||||
"nve/dotc/langevin"_fix_nve_dotc_langevin.html -
|
||||
"nve/eff"_fix_nve_eff.html -
|
||||
"nve/dot"_fix_nve_dot.html - rigid body constant energy time integrator for coarse grain models
|
||||
"nve/dotc/langevin"_fix_nve_dotc_langevin.html - Langevin style rigid body time integrator for coarse grain models
|
||||
"nve/eff"_fix_nve_eff.html - NVE for nuclei and electrons in the electron force field model
|
||||
"nve/limit"_fix_nve_limit.html - NVE with limited step length
|
||||
"nve/line"_fix_nve_line.html - NVE for line segments
|
||||
"nve/manifold/rattle"_fix_nve_manifold_rattle.html -
|
||||
"nve/noforce"_fix_nve_noforce.html - NVE without forces (v only)
|
||||
"nve/sphere"_fix_nve_sphere.html - NVE for spherical particles
|
||||
"nve/spin"_fix_nve_spin.html -
|
||||
"nve/spin"_fix_nve_spin.html - NVE for a spin or spin-lattice system
|
||||
"nve/tri"_fix_nve_tri.html - NVE for triangles
|
||||
"nvk"_fix_nvk.html -
|
||||
"nvt"_fix_nh.html - constant NVT time integration via Nose/Hoover
|
||||
"nvk"_fix_nvk.html - constant kinetic energy time integration
|
||||
"nvt"_fix_nh.html - NVT time integration via Nose/Hoover
|
||||
"nvt/asphere"_fix_nvt_asphere.html - NVT for aspherical particles
|
||||
"nvt/body"_fix_nve_body.html - NVT for body particles
|
||||
"nvt/body"_fix_nvt_body.html -
|
||||
"nvt/eff"_fix_nh_eff.html -
|
||||
"nvt/body"_fix_nvt_body.html - NVT for body particles
|
||||
"nvt/eff"_fix_nh_eff.html - NVE for nuclei and electrons in the electron force field model
|
||||
"nvt/manifold/rattle"_fix_nvt_manifold_rattle.html -
|
||||
"nvt/sllod"_fix_nvt_sllod.html - NVT for NEMD with SLLOD equations
|
||||
"nvt/sllod/eff"_fix_nvt_sllod_eff.html -
|
||||
"nvt/sllod/eff"_fix_nvt_sllod_eff.html - NVT for NEMD with SLLOD equations for the electron force field model
|
||||
"nvt/sphere"_fix_nvt_sphere.html - NVT for spherical particles
|
||||
"nvt/uef"_fix_nh_uef.html -
|
||||
"nvt/uef"_fix_nh_uef.html - NVT style time integration with diagonal flow
|
||||
"oneway"_fix_oneway.html - constrain particles on move in one direction
|
||||
"orient/bcc"_fix_orient.html - add grain boundary migration force for BCC
|
||||
"orient/fcc"_fix_orient.html - add grain boundary migration force for FCC
|
||||
"phonon"_fix_phonon.html -
|
||||
"pimd"_fix_pimd.html -
|
||||
"phonon"_fix_phonon.html - calculate dynamical matrix from MD simulations
|
||||
"pimd"_fix_pimd.html - Feynman path integral molecular dynamics
|
||||
"planeforce"_fix_planeforce.html - constrain atoms to move in a plane
|
||||
"plumed"_fix_plumed.html - wrapper on PLUMED free energy library
|
||||
"poems"_fix_poems.html - constrain clusters of atoms to move as coupled rigid bodies
|
||||
|
|
@ -302,24 +297,24 @@ accelerated styles exist.
|
|||
"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
|
||||
"python/invoke"_fix_python_invoke.html -
|
||||
"python/move"_fix_python_move.html -
|
||||
"qbmsst"_fix_qbmsst.html -
|
||||
"python/invoke"_fix_python_invoke.html - call a Python function during a simulation
|
||||
"python/move"_fix_python_move.html - call a Python function during a simulation run
|
||||
"qbmsst"_fix_qbmsst.html - quantum bath multi-scale shock technique time integrator
|
||||
"qeq/comb"_fix_qeq_comb.html - charge equilibration for COMB potential
|
||||
"qeq/dynamic"_fix_qeq.html - charge equilibration via dynamic method
|
||||
"qeq/fire"_fix_qeq.html - charge equilibration via FIRE minimizer
|
||||
"qeq/point"_fix_qeq.html - charge equilibration via point method
|
||||
"qeq/reax"_fix_qeq_reax.html -
|
||||
"qeq/reax"_fix_qeq_reax.html - charge equilibration for ReaxFF potential
|
||||
"qeq/shielded"_fix_qeq.html - charge equilibration via shielded method
|
||||
"qeq/slater"_fix_qeq.html - charge equilibration via Slater method
|
||||
"qmmm"_fix_qmmm.html -
|
||||
"qtb"_fix_qtb.html -
|
||||
"qmmm"_fix_qmmm.html - functionality to enable a quantum mechanics/molecular mechanics coupling
|
||||
"qtb"_fix_qtb.html - implement quantum thermal bath scheme
|
||||
"rattle"_fix_shake.html - RATTLE constraints on bonds and/or angles
|
||||
"reax/c/bonds"_fix_reaxc_bonds.html - write out ReaxFF bond information
|
||||
"reax/c/species"_fix_reaxc_species.html - write out ReaxFF molecule information
|
||||
"recenter"_fix_recenter.html - constrain the center-of-mass position of a group of atoms
|
||||
"restrain"_fix_restrain.html - constrain a bond, angle, dihedral
|
||||
"rhok"_fix_rhok.html -
|
||||
"rhok"_fix_rhok.html - add bias potential for long-range ordered systems
|
||||
"rigid"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with NVE integration
|
||||
"rigid/meso"_fix_rigid_meso.html - constrain clusters of mesoscopic SPH/SDPD particles to move as a rigid body
|
||||
"rigid/nph"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with NPH integration
|
||||
|
|
@ -332,11 +327,11 @@ accelerated styles exist.
|
|||
"rigid/nvt/small"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NVT integration
|
||||
"rigid/small"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NVE integration
|
||||
"rx"_fix_rx.html -
|
||||
"saed/vtk"_fix_saed_vtk.html -
|
||||
"saed/vtk"_fix_saed_vtk.html -
|
||||
"setforce"_fix_setforce.html - set the force on each atom
|
||||
"shake"_fix_shake.html - SHAKE constraints on bonds and/or angles
|
||||
"shardlow"_fix_shardlow.html -
|
||||
"smd"_fix_smd.html -
|
||||
"shardlow"_fix_shardlow.html - integration of DPD equations of motion using the Shardlow splitting
|
||||
"smd"_fix_smd.html - applied a steered MD force to a group
|
||||
"smd/adjust_dt"_fix_smd_adjust_dt.html -
|
||||
"smd/integrate_tlsph"_fix_smd_integrate_tlsph.html -
|
||||
"smd/integrate_ulsph"_fix_smd_integrate_ulsph.html -
|
||||
|
|
@ -355,13 +350,13 @@ accelerated styles exist.
|
|||
"temp/csld"_fix_temp_csvr.html - canonical sampling thermostat with Langevin dynamics
|
||||
"temp/csvr"_fix_temp_csvr.html - canonical sampling thermostat with Hamiltonian dynamics
|
||||
"temp/rescale"_fix_temp_rescale.html - temperature control by velocity rescaling
|
||||
"temp/rescale/eff"_fix_temp_rescale_eff.html -
|
||||
"temp/rescale/eff"_fix_temp_rescale_eff.html - temperature control by velocity rescaling in the electron force field model
|
||||
"tfmc"_fix_tfmc.html - perform force-bias Monte Carlo with time-stamped method
|
||||
"thermal/conductivity"_fix_thermal_conductivity.html - Muller-Plathe kinetic energy exchange for thermal conductivity calculation
|
||||
"ti/spring"_fix_ti_spring.html -
|
||||
"tmd"_fix_tmd.html - guide a group of atoms to a new configuration
|
||||
"ttm"_fix_ttm.html - two-temperature model for electronic/atomic coupling
|
||||
"ttm/mod"_fix_ttm.html -
|
||||
"ttm/mod"_fix_ttm.html - enhanced two-temperature model with additional options
|
||||
"tune/kspace"_fix_tune_kspace.html - auto-tune KSpace parameters
|
||||
"vector"_fix_vector.html - accumulate a global vector every N timesteps
|
||||
"viscosity"_fix_viscosity.html - Muller-Plathe momentum exchange for viscosity calculation
|
||||
|
|
@ -369,7 +364,7 @@ accelerated styles exist.
|
|||
"wall/body/polygon"_fix_wall_body_polygon.html -
|
||||
"wall/body/polyhedron"_fix_wall_body_polyhedron.html -
|
||||
"wall/colloid"_fix_wall.html - Lennard-Jones wall interacting with finite-size particles
|
||||
"wall/ees"_fix_wall_ees.html -
|
||||
"wall/ees"_fix_wall_ees.html - wall for ellipsoidal particles
|
||||
"wall/gran"_fix_wall_gran.html - frictional wall(s) for granular simulations
|
||||
"wall/gran/region"_fix_wall_gran_region.html -
|
||||
"wall/harmonic"_fix_wall.html - harmonic spring wall
|
||||
|
|
@ -379,7 +374,7 @@ accelerated styles exist.
|
|||
"wall/piston"_fix_wall_piston.html - moving reflective piston wall
|
||||
"wall/reflect"_fix_wall_reflect.html - reflecting wall(s)
|
||||
"wall/region"_fix_wall_region.html - use region surface as wall
|
||||
"wall/region/ees"_fix_wall_ees.html -
|
||||
"wall/region/ees"_fix_wall_ees.html - use region surface as wall for ellipsoidal particles
|
||||
"wall/srd"_fix_wall_srd.html - slip/no-slip wall for SRD particles :ul
|
||||
|
||||
[Restrictions:]
|
||||
|
|
|
|||
|
|
@ -39,8 +39,8 @@ An example of using the interface pinning method is located in the
|
|||
|
||||
[Restrictions:]
|
||||
|
||||
This fix is part of the MISC package. It is only enabled if LAMMPS
|
||||
was built with that package. See the "Build
|
||||
This fix is part of the USER-MISC package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Build
|
||||
package"_Build_package.html doc page for more info.
|
||||
|
||||
[Related commands:]
|
||||
|
|
|
|||
Loading…
Reference in New Issue