forked from lijiext/lammps
add some more descriptions for fixes to list of style in fix command docs
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@ -165,9 +165,9 @@ page are followed by one or more of (g,i,k,o,t) to indicate which
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accelerated styles exist.
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"adapt"_fix_adapt.html - change a simulation parameter over time
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"adapt/fep"_fix_adapt_fep.html -
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"adapt/fep"_fix_adapt_fep.html - enhanced version of fix adapt
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"addforce"_fix_addforce.html - add a force to each atom
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"addtorque"_fix_addtorque.html -
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"addtorque"_fix_addtorque.html - add a torque to a group of atoms
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"append/atoms"_fix_append_atoms.html - append atoms to a running simulation
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"atc"_fix_atc.html - initiates a coupled MD/FE simulation
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"atom/swap"_fix_atom_swap.html - Monte Carlo atom type swapping
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@ -176,29 +176,29 @@ accelerated styles exist.
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"ave/correlate"_fix_ave_correlate.html - compute/output time correlations
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"ave/correlate/long"_fix_ave_correlate_long.html -
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"ave/histo"_fix_ave_histo.html - compute/output time-averaged histograms
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"ave/histo/weight"_fix_ave_histo.html -
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"ave/histo/weight"_fix_ave_histo.html - weighted version of fix ave/histo
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"ave/time"_fix_ave_time.html - compute/output global time-averaged quantities
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"aveforce"_fix_aveforce.html - add an averaged force to each atom
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"balance"_fix_balance.html - perform dynamic load-balancing
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"bocs"_fix_bocs.html -
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"bocs"_fix_bocs.html - NPT style time integration with pressure correction
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"bond/break"_fix_bond_break.html - break bonds on the fly
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"bond/create"_fix_bond_create.html - create bonds on the fly
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"bond/react"_fix_bond_react.html -
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"bond/react"_fix_bond_react.html - apply topology changes to model reactions
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"bond/swap"_fix_bond_swap.html - Monte Carlo bond swapping
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"box/relax"_fix_box_relax.html - relax box size during energy minimization
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"client/md"_fix_client_md.html -
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"client/md"_fix_client_md.html - MD client for client/server simulations
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"cmap"_fix_cmap.html - enables CMAP cross-terms of the CHARMM force field
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"colvars"_fix_colvars.html - interface to the collective variables “Colvars” library
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"controller"_fix_controller.html -
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"controller"_fix_controller.html - apply control loop feedback mechanism
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"deform"_fix_deform.html - change the simulation box size/shape
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"deposit"_fix_deposit.html - add new atoms above a surface
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"dpd/energy"_fix_dpd_energy.html - constant energy dissipative particle dynamics
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"drag"_fix_drag.html - drag atoms towards a defined coordinate
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"drude"_fix_drude.html -
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"drude/transform/direct"_fix_drude_transform.html -
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"drude/transform/inverse"_fix_drude_transform.html -
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"drude"_fix_drude.html - part of Drude oscillator polarization model
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"drude/transform/direct"_fix_drude_transform.html - part of Drude oscillator polarization model
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"drude/transform/inverse"_fix_drude_transform.html - part of Drude oscillator polarization model
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"dt/reset"_fix_dt_reset.html - reset the timestep based on velocity, forces
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"edpd/source"_fix_dpd_source.html -
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"edpd/source"_fix_dpd_source.html - add heat source to eDPD simulations
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"efield"_fix_efield.html - impose electric field on system
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"ehex"_fix_ehex.html - enhanced heat exchange algorithm
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"electron/stopping"_fix_electron_stopping.html - electronic stopping power as a friction force
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@ -209,8 +209,8 @@ accelerated styles exist.
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"evaporate"_fix_evaporate.html - remove atoms from simulation periodically
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"external"_fix_external.html - callback to an external driver program
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"ffl"_fix_ffl.html - apply a Fast-Forward Langevin equation thermostat
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"filter/corotate"_fix_filter_corotate.html -
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"flow/gauss"_fix_flow_gauss.html -
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"filter/corotate"_fix_filter_corotate.html - implement corotation filter to allow larger timesteps with r-RESPA
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"flow/gauss"_fix_flow_gauss.html - Gaussian dynamics for constant mass flux
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"freeze"_fix_freeze.html - freeze atoms in a granular simulation
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"gcmc"_fix_gcmc.html - grand canonical insertions/deletions
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"gld"_fix_gld.html - generalized Langevin dynamics integrator
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@ -223,7 +223,7 @@ accelerated styles exist.
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"hyper/local"_fix_hyper_local.html - local hyperdynamics
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"imd"_fix_imd.html - implements the “Interactive MD” (IMD) protocol
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"indent"_fix_indent.html - impose force due to an indenter
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"ipi"_fix_ipi.html -
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"ipi"_fix_ipi.html - enable LAMMPS to run as a client for i-PI path-integral simulations
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"langevin"_fix_langevin.html - Langevin temperature control
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"langevin/drude"_fix_langevin_drude.html - Langevin temperature control of Drude oscillators
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"langevin/eff"_fix_langevin_eff.html - Langevin temperature control for the electron force field model
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@ -235,13 +235,13 @@ accelerated styles exist.
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"lb/rigid/pc/sphere"_fix_lb_rigid_pc_sphere.html -
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"lb/viscous"_fix_lb_viscous.html -
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"lineforce"_fix_lineforce.html - constrain atoms to move in a line
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"manifoldforce"_fix_manifoldforce.html -
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"meso"_fix_meso.html -
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"manifoldforce"_fix_manifoldforce.html - restrain atoms to a manifold during minimization
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"meso"_fix_meso.html - time integration for SPH/DPDE particles
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"meso/move"_fix_meso_move.html - move mesoscopic SPH/SDPD particles in a prescribed fashion
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"meso/stationary"_fix_meso_stationary.html -
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"momentum"_fix_momentum.html - zero the linear and/or angular momentum of a group of atoms
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"move"_fix_move.html - move atoms in a prescribed fashion
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"mscg"_fix_mscg.html -
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"mscg"_fix_mscg.html - apply MSCG method for force-matching to generate coarse grain models
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"msst"_fix_msst.html - multi-scale shock technique (MSST) integration
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"mvv/dpd"_fix_mvv_dpd.html - DPD using the modified velocity-Verlet integration algorithm
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"mvv/edpd"_fix_mvv_dpd.html - constant energy DPD using the modified velocity-Verlet algrithm
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@ -258,14 +258,14 @@ accelerated styles exist.
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"npt/body"_fix_npt_body.html - NPT for body particles
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"npt/eff"_fix_nh_eff.html - NPT for nuclei and electrons in the electron force field model
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"npt/sphere"_fix_npt_sphere.html - NPT for spherical particles
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"npt/uef"_fix_nh_uef.html -
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"npt/uef"_fix_nh_uef.html - NPT style time integration with diagonal flow
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"nve"_fix_nve.html - constant NVE time integration
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"nve/asphere"_fix_nve_asphere.html - NVE for aspherical particles
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"nve/asphere/noforce"_fix_nve_asphere_noforce.html - NVE for aspherical particles without forces
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"nve/awpmd"_fix_nve_awpmd.html - NVE for the Antisymmetrized Wave Packet Molecular Dynamics model
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"nve/body"_fix_nve_body.html - NVE for body particles
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"nve/dot"_fix_nve_dot.html -
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"nve/dotc/langevin"_fix_nve_dotc_langevin.html -
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"nve/dot"_fix_nve_dot.html - rigid body constant energy time integrator for coarse grain models
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"nve/dotc/langevin"_fix_nve_dotc_langevin.html - Langevin style rigid body time integrator for coarse grain models
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"nve/eff"_fix_nve_eff.html - NVE for nuclei and electrons in the electron force field model
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"nve/limit"_fix_nve_limit.html - NVE with limited step length
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"nve/line"_fix_nve_line.html - NVE for line segments
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@ -283,11 +283,11 @@ accelerated styles exist.
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"nvt/sllod"_fix_nvt_sllod.html - NVT for NEMD with SLLOD equations
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"nvt/sllod/eff"_fix_nvt_sllod_eff.html - NVT for NEMD with SLLOD equations for the electron force field model
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"nvt/sphere"_fix_nvt_sphere.html - NVT for spherical particles
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"nvt/uef"_fix_nh_uef.html -
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"nvt/uef"_fix_nh_uef.html - NVT style time integration with diagonal flow
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"oneway"_fix_oneway.html - constrain particles on move in one direction
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"orient/bcc"_fix_orient.html - add grain boundary migration force for BCC
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"orient/fcc"_fix_orient.html - add grain boundary migration force for FCC
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"phonon"_fix_phonon.html -
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"phonon"_fix_phonon.html - calculate dynamical matrix from MD simulations
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"pimd"_fix_pimd.html - Feynman path integral molecular dynamics
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"planeforce"_fix_planeforce.html - constrain atoms to move in a plane
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"plumed"_fix_plumed.html - wrapper on PLUMED free energy library
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@ -297,9 +297,9 @@ accelerated styles exist.
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"press/berendsen"_fix_press_berendsen.html - pressure control by Berendsen barostat
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"print"_fix_print.html - print text and variables during a simulation
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"property/atom"_fix_property_atom.html - add customized per-atom values
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"python/invoke"_fix_python_invoke.html -
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"python/invoke"_fix_python_invoke.html - call a Python function during a simulation
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"python/move"_fix_python_move.html - call a Python function during a simulation run
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"qbmsst"_fix_qbmsst.html -
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"qbmsst"_fix_qbmsst.html - quantum bath multi-scale shock technique time integrator
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"qeq/comb"_fix_qeq_comb.html - charge equilibration for COMB potential
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"qeq/dynamic"_fix_qeq.html - charge equilibration via dynamic method
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"qeq/fire"_fix_qeq.html - charge equilibration via FIRE minimizer
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@ -308,13 +308,13 @@ accelerated styles exist.
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"qeq/shielded"_fix_qeq.html - charge equilibration via shielded method
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"qeq/slater"_fix_qeq.html - charge equilibration via Slater method
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"qmmm"_fix_qmmm.html - functionality to enable a quantum mechanics/molecular mechanics coupling
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"qtb"_fix_qtb.html -
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"qtb"_fix_qtb.html - implement quantum thermal bath scheme
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"rattle"_fix_shake.html - RATTLE constraints on bonds and/or angles
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"reax/c/bonds"_fix_reaxc_bonds.html - write out ReaxFF bond information
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"reax/c/species"_fix_reaxc_species.html - write out ReaxFF molecule information
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"recenter"_fix_recenter.html - constrain the center-of-mass position of a group of atoms
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"restrain"_fix_restrain.html - constrain a bond, angle, dihedral
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"rhok"_fix_rhok.html -
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"rhok"_fix_rhok.html - add bias potential for long-range ordered systems
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"rigid"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with NVE integration
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"rigid/meso"_fix_rigid_meso.html - constrain clusters of mesoscopic SPH/SDPD particles to move as a rigid body
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"rigid/nph"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with NPH integration
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@ -327,11 +327,11 @@ accelerated styles exist.
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"rigid/nvt/small"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NVT integration
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"rigid/small"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NVE integration
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"rx"_fix_rx.html -
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"saed/vtk"_fix_saed_vtk.html -
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"saed/vtk"_fix_saed_vtk.html -
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"setforce"_fix_setforce.html - set the force on each atom
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"shake"_fix_shake.html - SHAKE constraints on bonds and/or angles
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"shardlow"_fix_shardlow.html - integration of DPD equations of motion using the Shardlow splitting
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"smd"_fix_smd.html -
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"smd"_fix_smd.html - applied a steered MD force to a group
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"smd/adjust_dt"_fix_smd_adjust_dt.html -
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"smd/integrate_tlsph"_fix_smd_integrate_tlsph.html -
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"smd/integrate_ulsph"_fix_smd_integrate_ulsph.html -
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@ -356,7 +356,7 @@ accelerated styles exist.
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"ti/spring"_fix_ti_spring.html -
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"tmd"_fix_tmd.html - guide a group of atoms to a new configuration
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"ttm"_fix_ttm.html - two-temperature model for electronic/atomic coupling
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"ttm/mod"_fix_ttm.html -
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"ttm/mod"_fix_ttm.html - enhanced two-temperature model with additional options
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"tune/kspace"_fix_tune_kspace.html - auto-tune KSpace parameters
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"vector"_fix_vector.html - accumulate a global vector every N timesteps
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"viscosity"_fix_viscosity.html - Muller-Plathe momentum exchange for viscosity calculation
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@ -364,7 +364,7 @@ accelerated styles exist.
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"wall/body/polygon"_fix_wall_body_polygon.html -
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"wall/body/polyhedron"_fix_wall_body_polyhedron.html -
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"wall/colloid"_fix_wall.html - Lennard-Jones wall interacting with finite-size particles
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"wall/ees"_fix_wall_ees.html -
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"wall/ees"_fix_wall_ees.html - wall for ellipsoidal particles
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"wall/gran"_fix_wall_gran.html - frictional wall(s) for granular simulations
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"wall/gran/region"_fix_wall_gran_region.html -
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"wall/harmonic"_fix_wall.html - harmonic spring wall
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@ -374,7 +374,7 @@ accelerated styles exist.
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"wall/piston"_fix_wall_piston.html - moving reflective piston wall
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"wall/reflect"_fix_wall_reflect.html - reflecting wall(s)
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"wall/region"_fix_wall_region.html - use region surface as wall
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"wall/region/ees"_fix_wall_ees.html -
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"wall/region/ees"_fix_wall_ees.html - use region surface as wall for ellipsoidal particles
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"wall/srd"_fix_wall_srd.html - slip/no-slip wall for SRD particles :ul
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[Restrictions:]
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