forked from lijiext/lammps
small clean-up of fix.txt
This commit is contained in:
Evangelos Voyiatzis
GitHub
parent
de366c27e2
commit
5076f1a36c
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@ -169,7 +169,7 @@ accelerated styles exist.
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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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"append/atoms"_fix_append_atoms.html - append atoms to a running simulation
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"atc"_fix_atc.html -
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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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"ave/atom"_fix_ave_atom.html - compute per-atom time-averaged quantities
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"ave/chunk"_fix_ave_chunk.html - compute per-chunk time-averaged quantities
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@ -187,12 +187,12 @@ accelerated styles exist.
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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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"cmap"_fix_cmap.html -
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"colvars"_fix_colvars.html -
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"controller"_fix_controller.html -
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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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"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 -
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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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@ -208,27 +208,26 @@ accelerated styles exist.
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"eos/table/rx"_fix_eos_table_rx.html -
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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 -
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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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"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_gcmc.html - generalized Langevin dynamics integrator
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"gld"_fix_gld.html -
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"gle"_fix_gle.html -
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"gld"_fix_gld.html - generalized Langevin dynamics integrator
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"gle"_fix_gle.html - generalized Langevin equation thermostat
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"gravity"_fix_gravity.html - add gravity to atoms in a granular simulation
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"grem"_fix_grem.html -
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"grem"_fix_grem.html - implements the generalized replica exchange method
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"halt"_fix_halt.html - terminate a dynamics run or minimization
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"heat"_fix_heat.html - add/subtract momentum-conserving heat
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"hyper/global"_fix_hyper_global.html - global hyperdynamics
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"hyper/local"_fix_hyper_local.html - local hyperdynamics
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"imd"_fix_imd.html -
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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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"langevin"_fix_langevin.html - Langevin temperature control
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"langevin/drude"_fix_langevin_drude.html -
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"langevin/eff"_fix_langevin_eff.html -
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"langevin/spin"_fix_langevin_spin.html -
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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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"langevin/spin"_fix_langevin_spin.html - Langevin temperature control for a spin or spin-lattice system
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"latte"_fix_latte.html - wrapper on LATTE density-functional tight-binding code
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"lb/fluid"_fix_lb_fluid.html -
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"lb/momentum"_fix_lb_momentum.html -
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@ -238,62 +237,58 @@ accelerated styles exist.
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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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"meso"_fix_meso_move.html - move mesoscopic SPH/SDPD particles in a prescribed fashion
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"meso/move"_fix_meso_move.html -
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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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"msst"_fix_msst.html - multi-scale shock technique (MSST) integration
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"mvv/dpd"_fix_mvv_dpd.html -
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"mvv/edpd"_fix_mvv_dpd.html -
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"mvv/tdpd"_fix_mvv_dpd.html -
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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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"mvv/tdpd"_fix_mvv_dpd.html - constant temperature DPD using the modified velocity-Verlet algorithm
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"neb"_fix_neb.html - nudged elastic band (NEB) spring forces
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"nph"_fix_nh.html - constant NPH time integration via Nose/Hoover
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"nph/asphere"_fix_nph_asphere.html - NPH for aspherical particles
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"nph/body"_fix_nph_body.html -
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"nph/body"_fix_nve_body.html - NPH for body particles
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"nph/eff"_fix_nh_eff.html -
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"nph/body"_fix_nph_body.html - NPH for body particles
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"nph/eff"_fix_nh_eff.html - NPH for nuclei and electrons in the electron force field model
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"nph/sphere"_fix_nph_sphere.html - NPH for spherical particles
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"nphug"_fix_nphug.html - constant-stress Hugoniostat integration
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"npt"_fix_nh.html - constant NPT time integration via Nose/Hoover
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"npt/asphere"_fix_npt_asphere.html - NPT for aspherical particles
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"npt/body"_fix_npt_body.html -
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"npt/body"_fix_nve_body.html - NPT for body particles
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"npt/eff"_fix_nh_eff.html -
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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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"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 -
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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/eff"_fix_nve_eff.html -
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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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"nve/manifold/rattle"_fix_nve_manifold_rattle.html -
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"nve/noforce"_fix_nve_noforce.html - NVE without forces (v only)
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"nve/sphere"_fix_nve_sphere.html - NVE for spherical particles
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"nve/spin"_fix_nve_spin.html -
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"nve/spin"_fix_nve_spin.html - NVE for a spin or spin-lattice system
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"nve/tri"_fix_nve_tri.html - NVE for triangles
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"nvk"_fix_nvk.html -
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"nvt"_fix_nh.html - constant NVT time integration via Nose/Hoover
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"nvk"_fix_nvk.html - constant kinetic energy time integration
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"nvt"_fix_nh.html - NVT time integration via Nose/Hoover
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"nvt/asphere"_fix_nvt_asphere.html - NVT for aspherical particles
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"nvt/body"_fix_nve_body.html - NVT for body particles
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"nvt/body"_fix_nvt_body.html -
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"nvt/eff"_fix_nh_eff.html -
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"nvt/body"_fix_nvt_body.html - NVT for body particles
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"nvt/eff"_fix_nh_eff.html - NVE for nuclei and electrons in the electron force field model
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"nvt/manifold/rattle"_fix_nvt_manifold_rattle.html -
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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 -
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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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"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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"pimd"_fix_pimd.html -
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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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"poems"_fix_poems.html - constrain clusters of atoms to move as coupled rigid bodies
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@ -303,16 +298,16 @@ accelerated styles exist.
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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/move"_fix_python_move.html -
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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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"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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"qeq/point"_fix_qeq.html - charge equilibration via point method
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"qeq/reax"_fix_qeq_reax.html -
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"qeq/reax"_fix_qeq_reax.html - charge equilibration for ReaxFF potential
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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 -
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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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"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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@ -335,7 +330,7 @@ accelerated styles exist.
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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 -
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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/adjust_dt"_fix_smd_adjust_dt.html -
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"smd/integrate_tlsph"_fix_smd_integrate_tlsph.html -
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@ -355,7 +350,7 @@ accelerated styles exist.
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"temp/csld"_fix_temp_csvr.html - canonical sampling thermostat with Langevin dynamics
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"temp/csvr"_fix_temp_csvr.html - canonical sampling thermostat with Hamiltonian dynamics
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"temp/rescale"_fix_temp_rescale.html - temperature control by velocity rescaling
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"temp/rescale/eff"_fix_temp_rescale_eff.html -
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"temp/rescale/eff"_fix_temp_rescale_eff.html - temperature control by velocity rescaling in the electron force field model
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"tfmc"_fix_tfmc.html - perform force-bias Monte Carlo with time-stamped method
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"thermal/conductivity"_fix_thermal_conductivity.html - Muller-Plathe kinetic energy exchange for thermal conductivity calculation
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"ti/spring"_fix_ti_spring.html -
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