git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15078 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -454,23 +454,23 @@ See the :doc:`fix <fix>` command for one-line descriptions of each style
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or click on the style itself for a full description. Some of the
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styles have accelerated versions, which can be used if LAMMPS is built
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with the :doc:`appropriate accelerated package <Section_accelerate>`.
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This is indicated by additional letters in parenthesis: c = USER-CUDA,
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g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
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This is indicated by additional letters in parenthesis: g = GPU, i =
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USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`adapt <fix_adapt>` | :doc:`addforce (c) <fix_addforce>` | :doc:`append/atoms <fix_append_atoms>` | :doc:`atom/swap <fix_atom_swap>` | :doc:`aveforce (c) <fix_aveforce>` | :doc:`ave/atom <fix_ave_atom>` | :doc:`ave/chunk <fix_ave_chunk>` | :doc:`ave/correlate <fix_ave_correlate>` |
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| :doc:`adapt <fix_adapt>` | :doc:`addforce <fix_addforce>` | :doc:`append/atoms <fix_append_atoms>` | :doc:`atom/swap <fix_atom_swap>` | :doc:`aveforce <fix_aveforce>` | :doc:`ave/atom <fix_ave_atom>` | :doc:`ave/chunk <fix_ave_chunk>` | :doc:`ave/correlate <fix_ave_correlate>` |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`ave/histo <fix_ave_histo>` | :doc:`ave/histo/weight <fix_ave_histo>` | :doc:`ave/time <fix_ave_time>` | :doc:`balance <fix_balance>` | :doc:`bond/break <fix_bond_break>` | :doc:`bond/create <fix_bond_create>` | :doc:`bond/swap <fix_bond_swap>` | :doc:`box/relax <fix_box_relax>` |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`deform (k) <fix_deform>` | :doc:`deposit <fix_deposit>` | :doc:`drag <fix_drag>` | :doc:`dt/reset <fix_dt_reset>` | :doc:`efield <fix_efield>` | :doc:`ehex <fix_ehex>` | :doc:`enforce2d (c) <fix_enforce2d>` | :doc:`evaporate <fix_evaporate>` |
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| :doc:`deform (k) <fix_deform>` | :doc:`deposit <fix_deposit>` | :doc:`drag <fix_drag>` | :doc:`dt/reset <fix_dt_reset>` | :doc:`efield <fix_efield>` | :doc:`ehex <fix_ehex>` | :doc:`enforce2d <fix_enforce2d>` | :doc:`evaporate <fix_evaporate>` |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`external <fix_external>` | :doc:`freeze (c) <fix_freeze>` | :doc:`gcmc <fix_gcmc>` | :doc:`gld <fix_gld>` | :doc:`gravity (co) <fix_gravity>` | :doc:`heat <fix_heat>` | :doc:`indent <fix_indent>` | :doc:`langevin (k) <fix_langevin>` |
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| :doc:`external <fix_external>` | :doc:`freeze <fix_freeze>` | :doc:`gcmc <fix_gcmc>` | :doc:`gld <fix_gld>` | :doc:`gravity (o) <fix_gravity>` | :doc:`heat <fix_heat>` | :doc:`indent <fix_indent>` | :doc:`langevin (k) <fix_langevin>` |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`lineforce <fix_lineforce>` | :doc:`momentum <fix_momentum>` | :doc:`move <fix_move>` | :doc:`msst <fix_msst>` | :doc:`neb <fix_neb>` | :doc:`nph (ko) <fix_nh>` | :doc:`nphug (o) <fix_nphug>` | :doc:`nph/asphere (o) <fix_nph_asphere>` |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`nph/body <fix_nph_body>` | :doc:`nph/sphere (o) <fix_nph_sphere>` | :doc:`npt (ckio) <fix_nh>` | :doc:`npt/asphere (o) <fix_npt_asphere>` | :doc:`npt/body <fix_npt_body>` | :doc:`npt/sphere (o) <fix_npt_sphere>` | :doc:`nve (ckio) <fix_nve>` | :doc:`nve/asphere (i) <fix_nve_asphere>` |
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| :doc:`nph/body <fix_nph_body>` | :doc:`nph/sphere (o) <fix_nph_sphere>` | :doc:`npt (kio) <fix_nh>` | :doc:`npt/asphere (o) <fix_npt_asphere>` | :doc:`npt/body <fix_npt_body>` | :doc:`npt/sphere (o) <fix_npt_sphere>` | :doc:`nve (kio) <fix_nve>` | :doc:`nve/asphere (i) <fix_nve_asphere>` |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`nve/asphere/noforce <fix_nve_asphere_noforce>` | :doc:`nve/body <fix_nve_body>` | :doc:`nve/limit <fix_nve_limit>` | :doc:`nve/line <fix_nve_line>` | :doc:`nve/noforce <fix_nve_noforce>` | :doc:`nve/sphere (o) <fix_nve_sphere>` | :doc:`nve/tri <fix_nve_tri>` | :doc:`nvt (ciko) <fix_nh>` |
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| :doc:`nve/asphere/noforce <fix_nve_asphere_noforce>` | :doc:`nve/body <fix_nve_body>` | :doc:`nve/limit <fix_nve_limit>` | :doc:`nve/line <fix_nve_line>` | :doc:`nve/noforce <fix_nve_noforce>` | :doc:`nve/sphere (o) <fix_nve_sphere>` | :doc:`nve/tri <fix_nve_tri>` | :doc:`nvt (iko) <fix_nh>` |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`nvt/asphere (o) <fix_nvt_asphere>` | :doc:`nvt/body <fix_nvt_body>` | :doc:`nvt/sllod (io) <fix_nvt_sllod>` | :doc:`nvt/sphere (o) <fix_nvt_sphere>` | :doc:`oneway <fix_oneway>` | :doc:`orient/fcc <fix_orient_fcc>` | :doc:`planeforce <fix_planeforce>` | :doc:`poems <fix_poems>` |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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@ -480,11 +480,11 @@ g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`rigid/npt (o) <fix_rigid>` | :doc:`rigid/nve (o) <fix_rigid>` | :doc:`rigid/nvt (o) <fix_rigid>` | :doc:`rigid/small (o) <fix_rigid>` | :doc:`rigid/small/nph <fix_rigid>` | :doc:`rigid/small/npt <fix_rigid>` | :doc:`rigid/small/nve <fix_rigid>` | :doc:`rigid/small/nvt <fix_rigid>` |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`setforce (ck) <fix_setforce>` | :doc:`shake (c) <fix_shake>` | :doc:`spring <fix_spring>` | :doc:`spring/rg <fix_spring_rg>` | :doc:`spring/self <fix_spring_self>` | :doc:`srd <fix_srd>` | :doc:`store/force <fix_store_force>` | :doc:`store/state <fix_store_state>` |
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| :doc:`setforce (k) <fix_setforce>` | :doc:`shake <fix_shake>` | :doc:`spring <fix_spring>` | :doc:`spring/rg <fix_spring_rg>` | :doc:`spring/self <fix_spring_self>` | :doc:`srd <fix_srd>` | :doc:`store/force <fix_store_force>` | :doc:`store/state <fix_store_state>` |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`temp/berendsen (c) <fix_temp_berendsen>` | :doc:`temp/csld <fix_temp_csvr>` | :doc:`temp/csvr <fix_temp_csvr>` | :doc:`temp/rescale (c) <fix_temp_rescale>` | :doc:`tfmc <fix_tfmc>` | :doc:`thermal/conductivity <fix_thermal_conductivity>` | :doc:`tmd <fix_tmd>` | :doc:`ttm <fix_ttm>` |
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| :doc:`temp/berendsen <fix_temp_berendsen>` | :doc:`temp/csld <fix_temp_csvr>` | :doc:`temp/csvr <fix_temp_csvr>` | :doc:`temp/rescale <fix_temp_rescale>` | :doc:`tfmc <fix_tfmc>` | :doc:`thermal/conductivity <fix_thermal_conductivity>` | :doc:`tmd <fix_tmd>` | :doc:`ttm <fix_ttm>` |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`tune/kspace <fix_tune_kspace>` | :doc:`vector <fix_vector>` | :doc:`viscosity <fix_viscosity>` | :doc:`viscous (c) <fix_viscous>` | :doc:`wall/colloid <fix_wall>` | :doc:`wall/gran <fix_wall_gran>` | :doc:`wall/harmonic <fix_wall>` | :doc:`wall/lj1043 <fix_wall>` |
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| :doc:`tune/kspace <fix_tune_kspace>` | :doc:`vector <fix_vector>` | :doc:`viscosity <fix_viscosity>` | :doc:`viscous <fix_viscous>` | :doc:`wall/colloid <fix_wall>` | :doc:`wall/gran <fix_wall_gran>` | :doc:`wall/harmonic <fix_wall>` | :doc:`wall/lj1043 <fix_wall>` |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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| :doc:`wall/lj126 <fix_wall>` | :doc:`wall/lj93 <fix_wall>` | :doc:`wall/piston <fix_wall_piston>` | :doc:`wall/reflect (k) <fix_wall_reflect>` | :doc:`wall/region <fix_wall_region>` | :doc:`wall/srd <fix_wall_srd>` | | |
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+------------------------------------------------------+----------------------------------------------+----------------------------------------+--------------------------------------------+--------------------------------------+--------------------------------------------------------+--------------------------------------+------------------------------------------+
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@ -523,7 +523,7 @@ See the :doc:`compute <compute>` command for one-line descriptions of
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each style or click on the style itself for a full description. Some
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of the styles have accelerated versions, which can be used if LAMMPS
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is built with the :doc:`appropriate accelerated package <Section_accelerate>`. This is indicated by additional
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letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
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letters in parenthesis: g = GPU, i = USER-INTEL, k =
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KOKKOS, o = USER-OMP, t = OPT.
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+------------------------------------------------+------------------------------------------------+--------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------------------+
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@ -541,13 +541,13 @@ KOKKOS, o = USER-OMP, t = OPT.
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+------------------------------------------------+------------------------------------------------+--------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------------------+
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| :doc:`msd <compute_msd>` | :doc:`msd/chunk <compute_msd_chunk>` | :doc:`msd/nongauss <compute_msd_nongauss>` | :doc:`omega/chunk <compute_omega_chunk>` | :doc:`orientorder/atom <compute_orientorder_atom>` | :doc:`pair <compute_pair>` |
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+------------------------------------------------+------------------------------------------------+--------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------------------+
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| :doc:`pair/local <compute_pair_local>` | :doc:`pe (c) <compute_pe>` | :doc:`pe/atom <compute_pe_atom>` | :doc:`plasticity/atom <compute_plasticity_atom>` | :doc:`pressure (c) <compute_pressure>` | :doc:`property/atom <compute_property_atom>` |
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| :doc:`pair/local <compute_pair_local>` | :doc:`pe <compute_pe>` | :doc:`pe/atom <compute_pe_atom>` | :doc:`plasticity/atom <compute_plasticity_atom>` | :doc:`pressure <compute_pressure>` | :doc:`property/atom <compute_property_atom>` |
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+------------------------------------------------+------------------------------------------------+--------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------------------+
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| :doc:`property/local <compute_property_local>` | :doc:`property/chunk <compute_property_chunk>` | :doc:`rdf <compute_rdf>` | :doc:`reduce <compute_reduce>` | :doc:`reduce/region <compute_reduce>` | :doc:`slice <compute_slice>` |
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+------------------------------------------------+------------------------------------------------+--------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------------------+
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| :doc:`sna/atom <compute_sna_atom>` | :doc:`snad/atom <compute_sna_atom>` | :doc:`snav/atom <compute_sna_atom>` | :doc:`stress/atom <compute_stress_atom>` | :doc:`temp (ck) <compute_temp>` | :doc:`temp/asphere <compute_temp_asphere>` |
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| :doc:`sna/atom <compute_sna_atom>` | :doc:`snad/atom <compute_sna_atom>` | :doc:`snav/atom <compute_sna_atom>` | :doc:`stress/atom <compute_stress_atom>` | :doc:`temp (k) <compute_temp>` | :doc:`temp/asphere <compute_temp_asphere>` |
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+------------------------------------------------+------------------------------------------------+--------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------------------+
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| :doc:`temp/body <compute_temp_body>` | :doc:`temp/chunk <compute_temp_chunk>` | :doc:`temp/com <compute_temp_com>` | :doc:`temp/deform <compute_temp_deform>` | :doc:`temp/partial (c) <compute_temp_partial>` | :doc:`temp/profile <compute_temp_profile>` |
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| :doc:`temp/body <compute_temp_body>` | :doc:`temp/chunk <compute_temp_chunk>` | :doc:`temp/com <compute_temp_com>` | :doc:`temp/deform <compute_temp_deform>` | :doc:`temp/partial <compute_temp_partial>` | :doc:`temp/profile <compute_temp_profile>` |
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+------------------------------------------------+------------------------------------------------+--------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------------------+
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| :doc:`temp/ramp <compute_temp_ramp>` | :doc:`temp/region <compute_temp_region>` | :doc:`temp/sphere <compute_temp_sphere>` | :doc:`ti <compute_ti>` | :doc:`torque/chunk <compute_torque_chunk>` | :doc:`vacf <compute_vacf>` |
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+------------------------------------------------+------------------------------------------------+--------------------------------------------------+--------------------------------------------------+----------------------------------------------------+----------------------------------------------------------+
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@ -584,66 +584,66 @@ See the :doc:`pair_style <pair_style>` command for an overview of pair
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potentials. Click on the style itself for a full description. Many
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of the styles have accelerated versions, which can be used if LAMMPS
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is built with the :doc:`appropriate accelerated package <Section_accelerate>`. This is indicated by additional
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letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
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letters in parenthesis: g = GPU, i = USER-INTEL, k =
|
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KOKKOS, o = USER-OMP, t = OPT.
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
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| :doc:`none <pair_none>` | :doc:`zero <pair_zero>` | :doc:`hybrid <pair_hybrid>` | :doc:`hybrid/overlay <pair_hybrid>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
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| :doc:`adp (o) <pair_adp>` | :doc:`airebo (o) <pair_airebo>` | :doc:`airebo/morse (o) <pair_airebo>` | :doc:`beck (go) <pair_beck>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
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| :doc:`body <pair_body>` | :doc:`bop <pair_bop>` | :doc:`born (go) <pair_born>` | :doc:`born/coul/long (cgo) <pair_born>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
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| :doc:`born/coul/long/cs <pair_born>` | :doc:`born/coul/msm (o) <pair_born>` | :doc:`born/coul/wolf (go) <pair_born>` | :doc:`brownian (o) <pair_brownian>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
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| :doc:`brownian/poly (o) <pair_brownian>` | :doc:`buck (cgkio) <pair_buck>` | :doc:`buck/coul/cut (cgkio) <pair_buck>` | :doc:`buck/coul/long (cgkio) <pair_buck>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
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| :doc:`buck/coul/long/cs <pair_buck>` | :doc:`buck/coul/msm (o) <pair_buck>` | :doc:`buck/long/coul/long (o) <pair_buck_long>` | :doc:`colloid (go) <pair_colloid>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
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| :doc:`comb (o) <pair_comb>` | :doc:`comb3 <pair_comb>` | :doc:`coul/cut (gko) <pair_coul>` | :doc:`coul/debye (gko) <pair_coul>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
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| :doc:`coul/dsf (gko) <pair_coul>` | :doc:`coul/long (gko) <pair_coul>` | :doc:`coul/long/cs <pair_coul>` | :doc:`coul/msm <pair_coul>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
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| :doc:`coul/streitz <pair_coul>` | :doc:`coul/wolf (ko) <pair_coul>` | :doc:`dpd (o) <pair_dpd>` | :doc:`dpd/tstat (o) <pair_dpd>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
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| :doc:`dsmc <pair_dsmc>` | :doc:`eam (cgkot) <pair_eam>` | :doc:`eam/alloy (cgkot) <pair_eam>` | :doc:`eam/fs (cgkot) <pair_eam>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
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| :doc:`eim (o) <pair_eim>` | :doc:`gauss (go) <pair_gauss>` | :doc:`gayberne (gio) <pair_gayberne>` | :doc:`gran/hertz/history (o) <pair_gran>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
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| :doc:`gran/hooke (co) <pair_gran>` | :doc:`gran/hooke/history (o) <pair_gran>` | :doc:`hbond/dreiding/lj (o) <pair_hbond_dreiding>` | :doc:`hbond/dreiding/morse (o) <pair_hbond_dreiding>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
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| :doc:`kim <pair_kim>` | :doc:`lcbop <pair_lcbop>` | :doc:`line/lj <pair_line_lj>` | :doc:`lj/charmm/coul/charmm (cko) <pair_charmm>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/charmm/coul/charmm/implicit (cko) <pair_charmm>` | :doc:`lj/charmm/coul/long (cgiko) <pair_charmm>` | :doc:`lj/charmm/coul/msm <pair_charmm>` | :doc:`lj/class2 (cgko) <pair_class2>` |
|
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/class2/coul/cut (cko) <pair_class2>` | :doc:`lj/class2/coul/long (cgko) <pair_class2>` | :doc:`lj/cubic (go) <pair_lj_cubic>` | :doc:`lj/cut (cgikot) <pair_lj>` |
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+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/cut/coul/cut (cgko) <pair_lj>` | :doc:`lj/cut/coul/debye (cgko) <pair_lj>` | :doc:`lj/cut/coul/dsf (gko) <pair_lj>` | :doc:`lj/cut/coul/long (cgikot) <pair_lj>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/cut/coul/long/cs <pair_lj>` | :doc:`lj/cut/coul/msm (go) <pair_lj>` | :doc:`lj/cut/dipole/cut (go) <pair_dipole>` | :doc:`lj/cut/dipole/long <pair_dipole>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/cut/tip4p/cut (o) <pair_lj>` | :doc:`lj/cut/tip4p/long (ot) <pair_lj>` | :doc:`lj/expand (cgko) <pair_lj_expand>` | :doc:`lj/gromacs (cgko) <pair_gromacs>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/gromacs/coul/gromacs (cko) <pair_gromacs>` | :doc:`lj/long/coul/long (o) <pair_lj_long>` | :doc:`lj/long/dipole/long <pair_dipole>` | :doc:`lj/long/tip4p/long <pair_lj_long>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/smooth (co) <pair_lj_smooth>` | :doc:`lj/smooth/linear (o) <pair_lj_smooth_linear>` | :doc:`lj96/cut (cgo) <pair_lj96>` | :doc:`lubricate (o) <pair_lubricate>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lubricate/poly (o) <pair_lubricate>` | :doc:`lubricateU <pair_lubricateU>` | :doc:`lubricateU/poly <pair_lubricateU>` | :doc:`meam (o) <pair_meam>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`mie/cut (o) <pair_mie>` | :doc:`morse (cgot) <pair_morse>` | :doc:`nb3b/harmonic (o) <pair_nb3b_harmonic>` | :doc:`nm/cut (o) <pair_nm>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`nm/cut/coul/cut (o) <pair_nm>` | :doc:`nm/cut/coul/long (o) <pair_nm>` | :doc:`peri/eps <pair_peri>` | :doc:`peri/lps (o) <pair_peri>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`peri/pmb (o) <pair_peri>` | :doc:`peri/ves <pair_peri>` | :doc:`polymorphic <pair_polymorphic>` | :doc:`reax <pair_reax>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`rebo (o) <pair_airebo>` | :doc:`resquared (go) <pair_resquared>` | :doc:`snap <pair_snap>` | :doc:`soft (go) <pair_soft>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`sw (cgkio) <pair_sw>` | :doc:`table (gko) <pair_table>` | :doc:`tersoff (cgkio) <pair_tersoff>` | :doc:`tersoff/mod (gko) <pair_tersoff_mod>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`tersoff/zbl (gko) <pair_tersoff_zbl>` | :doc:`tip4p/cut (o) <pair_coul>` | :doc:`tip4p/long (o) <pair_coul>` | :doc:`tri/lj <pair_tri_lj>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`vashishta (o) <pair_vashishta>` | :doc:`yukawa (go) <pair_yukawa>` | :doc:`yukawa/colloid (go) <pair_yukawa_colloid>` | :doc:`zbl (go) <pair_zbl>` |
|
||||
+-----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`none <pair_none>` | :doc:`zero <pair_zero>` | :doc:`hybrid <pair_hybrid>` | :doc:`hybrid/overlay <pair_hybrid>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`adp (o) <pair_adp>` | :doc:`airebo (o) <pair_airebo>` | :doc:`airebo/morse (o) <pair_airebo>` | :doc:`beck (go) <pair_beck>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`body <pair_body>` | :doc:`bop <pair_bop>` | :doc:`born (go) <pair_born>` | :doc:`born/coul/long (go) <pair_born>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`born/coul/long/cs <pair_born>` | :doc:`born/coul/msm (o) <pair_born>` | :doc:`born/coul/wolf (go) <pair_born>` | :doc:`brownian (o) <pair_brownian>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`brownian/poly (o) <pair_brownian>` | :doc:`buck (gkio) <pair_buck>` | :doc:`buck/coul/cut (gkio) <pair_buck>` | :doc:`buck/coul/long (gkio) <pair_buck>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`buck/coul/long/cs <pair_buck>` | :doc:`buck/coul/msm (o) <pair_buck>` | :doc:`buck/long/coul/long (o) <pair_buck_long>` | :doc:`colloid (go) <pair_colloid>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`comb (o) <pair_comb>` | :doc:`comb3 <pair_comb>` | :doc:`coul/cut (gko) <pair_coul>` | :doc:`coul/debye (gko) <pair_coul>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`coul/dsf (gko) <pair_coul>` | :doc:`coul/long (gko) <pair_coul>` | :doc:`coul/long/cs <pair_coul>` | :doc:`coul/msm <pair_coul>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`coul/streitz <pair_coul>` | :doc:`coul/wolf (ko) <pair_coul>` | :doc:`dpd (o) <pair_dpd>` | :doc:`dpd/tstat (o) <pair_dpd>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`dsmc <pair_dsmc>` | :doc:`eam (gkot) <pair_eam>` | :doc:`eam/alloy (gkot) <pair_eam>` | :doc:`eam/fs (gkot) <pair_eam>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`eim (o) <pair_eim>` | :doc:`gauss (go) <pair_gauss>` | :doc:`gayberne (gio) <pair_gayberne>` | :doc:`gran/hertz/history (o) <pair_gran>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`gran/hooke (o) <pair_gran>` | :doc:`gran/hooke/history (o) <pair_gran>` | :doc:`hbond/dreiding/lj (o) <pair_hbond_dreiding>` | :doc:`hbond/dreiding/morse (o) <pair_hbond_dreiding>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`kim <pair_kim>` | :doc:`lcbop <pair_lcbop>` | :doc:`line/lj <pair_line_lj>` | :doc:`lj/charmm/coul/charmm (ko) <pair_charmm>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/charmm/coul/charmm/implicit (ko) <pair_charmm>` | :doc:`lj/charmm/coul/long (giko) <pair_charmm>` | :doc:`lj/charmm/coul/msm <pair_charmm>` | :doc:`lj/class2 (gko) <pair_class2>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/class2/coul/cut (ko) <pair_class2>` | :doc:`lj/class2/coul/long (gko) <pair_class2>` | :doc:`lj/cubic (go) <pair_lj_cubic>` | :doc:`lj/cut (gikot) <pair_lj>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/cut/coul/cut (gko) <pair_lj>` | :doc:`lj/cut/coul/debye (gko) <pair_lj>` | :doc:`lj/cut/coul/dsf (gko) <pair_lj>` | :doc:`lj/cut/coul/long (gikot) <pair_lj>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/cut/coul/long/cs <pair_lj>` | :doc:`lj/cut/coul/msm (go) <pair_lj>` | :doc:`lj/cut/dipole/cut (go) <pair_dipole>` | :doc:`lj/cut/dipole/long <pair_dipole>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/cut/tip4p/cut (o) <pair_lj>` | :doc:`lj/cut/tip4p/long (ot) <pair_lj>` | :doc:`lj/expand (gko) <pair_lj_expand>` | :doc:`lj/gromacs (gko) <pair_gromacs>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/gromacs/coul/gromacs (ko) <pair_gromacs>` | :doc:`lj/long/coul/long (o) <pair_lj_long>` | :doc:`lj/long/dipole/long <pair_dipole>` | :doc:`lj/long/tip4p/long <pair_lj_long>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lj/smooth (o) <pair_lj_smooth>` | :doc:`lj/smooth/linear (o) <pair_lj_smooth_linear>` | :doc:`lj96/cut (go) <pair_lj96>` | :doc:`lubricate (o) <pair_lubricate>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`lubricate/poly (o) <pair_lubricate>` | :doc:`lubricateU <pair_lubricateU>` | :doc:`lubricateU/poly <pair_lubricateU>` | :doc:`meam (o) <pair_meam>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`mie/cut (o) <pair_mie>` | :doc:`morse (got) <pair_morse>` | :doc:`nb3b/harmonic (o) <pair_nb3b_harmonic>` | :doc:`nm/cut (o) <pair_nm>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`nm/cut/coul/cut (o) <pair_nm>` | :doc:`nm/cut/coul/long (o) <pair_nm>` | :doc:`peri/eps <pair_peri>` | :doc:`peri/lps (o) <pair_peri>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`peri/pmb (o) <pair_peri>` | :doc:`peri/ves <pair_peri>` | :doc:`polymorphic <pair_polymorphic>` | :doc:`reax <pair_reax>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`rebo (o) <pair_airebo>` | :doc:`resquared (go) <pair_resquared>` | :doc:`snap <pair_snap>` | :doc:`soft (go) <pair_soft>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`sw (gkio) <pair_sw>` | :doc:`table (gko) <pair_table>` | :doc:`tersoff (gkio) <pair_tersoff>` | :doc:`tersoff/mod (gko) <pair_tersoff_mod>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`tersoff/zbl (gko) <pair_tersoff_zbl>` | :doc:`tip4p/cut (o) <pair_coul>` | :doc:`tip4p/long (o) <pair_coul>` | :doc:`tri/lj <pair_tri_lj>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
| :doc:`vashishta (o) <pair_vashishta>` | :doc:`yukawa (go) <pair_yukawa>` | :doc:`yukawa/colloid (go) <pair_yukawa_colloid>` | :doc:`zbl (go) <pair_zbl>` |
|
||||
+----------------------------------------------------------+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+
|
||||
|
||||
These are additional pair styles in USER packages, which can be used
|
||||
if :ref:`LAMMPS is built with the appropriate package <start_3>`.
|
||||
@ -685,7 +685,7 @@ See the :doc:`bond_style <bond_style>` command for an overview of bond
|
||||
potentials. Click on the style itself for a full description. Some
|
||||
of the styles have accelerated versions, which can be used if LAMMPS
|
||||
is built with the :doc:`appropriate accelerated package <Section_accelerate>`. This is indicated by additional
|
||||
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
|
||||
letters in parenthesis: g = GPU, i = USER-INTEL, k =
|
||||
KOKKOS, o = USER-OMP, t = OPT.
|
||||
|
||||
+---------------------------------------+-------------------------------------------+--------------------------------------+---------------------------------+
|
||||
@ -714,8 +714,8 @@ See the :doc:`angle_style <angle_style>` command for an overview of
|
||||
angle potentials. Click on the style itself for a full description.
|
||||
Some of the styles have accelerated versions, which can be used if
|
||||
LAMMPS is built with the :doc:`appropriate accelerated package <Section_accelerate>`. This is indicated by additional
|
||||
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
|
||||
KOKKOS, o = USER-OMP, t = OPT.
|
||||
letters in parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o =
|
||||
USER-OMP, t = OPT.
|
||||
|
||||
+--------------------------------------------------+----------------------------------------+----------------------------------------------+----------------------------------------------------+
|
||||
| :doc:`none <angle_none>` | :doc:`zero <angle_zero>` | :doc:`hybrid <angle_hybrid>` | :doc:`charmm (ko) <angle_charmm>` |
|
||||
@ -745,8 +745,8 @@ See the :doc:`dihedral_style <dihedral_style>` command for an overview
|
||||
of dihedral potentials. Click on the style itself for a full
|
||||
description. Some of the styles have accelerated versions, which can
|
||||
be used if LAMMPS is built with the :doc:`appropriate accelerated package <Section_accelerate>`. This is indicated by additional
|
||||
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
|
||||
KOKKOS, o = USER-OMP, t = OPT.
|
||||
letters in parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o =
|
||||
USER-OMP, t = OPT.
|
||||
|
||||
+-------------------------------------+------------------------------------------+-----------------------------------+-----------------------------------------------------+
|
||||
| :doc:`none <dihedral_none>` | :doc:`zero <dihedral_zero>` | :doc:`hybrid <dihedral_hybrid>` | :doc:`charmm (ko) <dihedral_charmm>` |
|
||||
@ -776,8 +776,8 @@ See the :doc:`improper_style <improper_style>` command for an overview
|
||||
of improper potentials. Click on the style itself for a full
|
||||
description. Some of the styles have accelerated versions, which can
|
||||
be used if LAMMPS is built with the :doc:`appropriate accelerated package <Section_accelerate>`. This is indicated by additional
|
||||
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
|
||||
KOKKOS, o = USER-OMP, t = OPT.
|
||||
letters in parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o =
|
||||
USER-OMP, t = OPT.
|
||||
|
||||
+----------------------------------+------------------------------------------+-----------------------------------------+-------------------------------------+
|
||||
| :doc:`none <improper_none>` | :doc:`zero <improper_zero>` | :doc:`hybrid <improper_hybrid>` | :doc:`class2 (o) <improper_class2>` |
|
||||
@ -803,13 +803,13 @@ See the :doc:`kspace_style <kspace_style>` command for an overview of
|
||||
Kspace solvers. Click on the style itself for a full description.
|
||||
Some of the styles have accelerated versions, which can be used if
|
||||
LAMMPS is built with the :doc:`appropriate accelerated package <Section_accelerate>`. This is indicated by additional
|
||||
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
|
||||
KOKKOS, o = USER-OMP, t = OPT.
|
||||
letters in parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o =
|
||||
USER-OMP, t = OPT.
|
||||
|
||||
+------------------------------------+--------------------------------------+---------------------------------+---------------------------------------+
|
||||
| :doc:`ewald (o) <kspace_style>` | :doc:`ewald/disp <kspace_style>` | :doc:`msm (o) <kspace_style>` | :doc:`msm/cg (o) <kspace_style>` |
|
||||
+------------------------------------+--------------------------------------+---------------------------------+---------------------------------------+
|
||||
| :doc:`pppm (cgo) <kspace_style>` | :doc:`pppm/cg (o) <kspace_style>` | :doc:`pppm/disp <kspace_style>` | :doc:`pppm/disp/tip4p <kspace_style>` |
|
||||
| :doc:`pppm (go) <kspace_style>` | :doc:`pppm/cg (o) <kspace_style>` | :doc:`pppm/disp <kspace_style>` | :doc:`pppm/disp/tip4p <kspace_style>` |
|
||||
+------------------------------------+--------------------------------------+---------------------------------+---------------------------------------+
|
||||
| :doc:`pppm/stagger <kspace_style>` | :doc:`pppm/tip4p (o) <kspace_style>` | | |
|
||||
+------------------------------------+--------------------------------------+---------------------------------+---------------------------------------+
|
||||
|
||||
Reference in New Issue
Block a user