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doc/_sources/Section_commands.txt
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@ -583,63 +583,63 @@ is built with the :doc:`appropriate accelerated package <Section_accelerate>`.
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.
+----------------------------------------------------+-------------------------------------------------------+-----------------------------------------------------------+-----------------------------------------------------+
| :doc:`none <pair_none>` | :doc:`hybrid <pair_hybrid>` | :doc:`hybrid/overlay <pair_hybrid>` | :doc:`adp (o) <pair_adp>` |
+----------------------------------------------------+-------------------------------------------------------+-----------------------------------------------------------+-----------------------------------------------------+
| :doc:`airebo (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 (cgo) <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 (cgkio) <pair_buck>` |
+----------------------------------------------------+-------------------------------------------------------+-----------------------------------------------------------+-----------------------------------------------------+
| :doc:`buck/coul/cut (cgkio) <pair_buck>` | :doc:`buck/coul/long (cgkio) <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 (cgkot) <pair_eam>` |
+----------------------------------------------------+-------------------------------------------------------+-----------------------------------------------------------+-----------------------------------------------------+
| :doc:`eam/alloy (cgkot) <pair_eam>` | :doc:`eam/fs (cgkot) <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 (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>` | :doc:`kim <pair_kim>` | :doc:`lcbop <pair_lcbop>` |
+----------------------------------------------------+-------------------------------------------------------+-----------------------------------------------------------+-----------------------------------------------------+
| :doc:`line/lj <pair_line_lj>` | :doc:`lj/charmm/coul/charmm (cko) <pair_charmm>` | :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>` | :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>` | :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 (ko) <pair_tersoff_mod>` | :doc:`tersoff/zbl (ko) <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:`beck (go) <pair_beck>` | :doc:`body <pair_body>` |
+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+-----------------------------------------------------------+
| :doc:`bop <pair_bop>` | :doc:`born (go) <pair_born>` | :doc:`born/coul/long (cgo) <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 (cgkio) <pair_buck>` | :doc:`buck/coul/cut (cgkio) <pair_buck>` | :doc:`buck/coul/long (cgkio) <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 (cgkot) <pair_eam>` | :doc:`eam/alloy (cgkot) <pair_eam>` | :doc:`eam/fs (cgkot) <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 (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>` | :doc:`kim <pair_kim>` |
+-----------------------------------------------------+----------------------------------------------------+-------------------------------------------------------+-----------------------------------------------------------+
| :doc:`lcbop <pair_lcbop>` | :doc:`line/lj <pair_line_lj>` | :doc:`lj/charmm/coul/charmm (cko) <pair_charmm>` | :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>` | :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>` | :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 (ko) <pair_tersoff_mod>` | :doc:`tersoff/zbl (ko) <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>`.
@ -684,13 +684,13 @@ is built with the :doc:`appropriate accelerated package <Section_accelerate>`.
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.
+-------------------------------------------+--------------------------------------+---------------------------------+---------------------------------------+
| :doc:`none <bond_none>` | :doc:`hybrid <bond_hybrid>` | :doc:`class2 (o) <bond_class2>` | :doc:`fene (ko) <bond_fene>` |
+-------------------------------------------+--------------------------------------+---------------------------------+---------------------------------------+
| :doc:`fene/expand (o) <bond_fene_expand>` | :doc:`harmonic (ko) <bond_harmonic>` | :doc:`morse (o) <bond_morse>` | :doc:`nonlinear (o) <bond_nonlinear>` |
+-------------------------------------------+--------------------------------------+---------------------------------+---------------------------------------+
| :doc:`quartic (o) <bond_quartic>` | :doc:`table (o) <bond_table>` | | |
+-------------------------------------------+--------------------------------------+---------------------------------+---------------------------------------+
+---------------------------------------+-------------------------------------------+--------------------------------------+---------------------------------+
| :doc:`none <bond_none>` | :doc:`zero <bond_zero>` | :doc:`hybrid <bond_hybrid>` | :doc:`class2 (o) <bond_class2>` |
+---------------------------------------+-------------------------------------------+--------------------------------------+---------------------------------+
| :doc:`fene (ko) <bond_fene>` | :doc:`fene/expand (o) <bond_fene_expand>` | :doc:`harmonic (ko) <bond_harmonic>` | :doc:`morse (o) <bond_morse>` |
+---------------------------------------+-------------------------------------------+--------------------------------------+---------------------------------+
| :doc:`nonlinear (o) <bond_nonlinear>` | :doc:`quartic (o) <bond_quartic>` | :doc:`table (o) <bond_table>` | |
+---------------------------------------+-------------------------------------------+--------------------------------------+---------------------------------+
These are additional bond styles in USER packages, which can be used
if :ref:`LAMMPS is built with the appropriate package <start_3>`.
@ -713,13 +713,13 @@ LAMMPS is built with the :doc:`appropriate accelerated package <Section_accelera
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.
+----------------------------------------+----------------------------------------------+----------------------------------------------------+--------------------------------------------------+
| :doc:`none <angle_none>` | :doc:`hybrid <angle_hybrid>` | :doc:`charmm (ko) <angle_charmm>` | :doc:`class2 (o) <angle_class2>` |
+----------------------------------------+----------------------------------------------+----------------------------------------------------+--------------------------------------------------+
| :doc:`cosine (o) <angle_cosine>` | :doc:`cosine/delta (o) <angle_cosine_delta>` | :doc:`cosine/periodic (o) <angle_cosine_periodic>` | :doc:`cosine/squared (o) <angle_cosine_squared>` |
+----------------------------------------+----------------------------------------------+----------------------------------------------------+--------------------------------------------------+
| :doc:`harmonic (iko) <angle_harmonic>` | :doc:`table (o) <angle_table>` | | |
+----------------------------------------+----------------------------------------------+----------------------------------------------------+--------------------------------------------------+
+--------------------------------------------------+----------------------------------------+----------------------------------------------+----------------------------------------------------+
| :doc:`none <angle_none>` | :doc:`zero <angle_zero>` | :doc:`hybrid <angle_hybrid>` | :doc:`charmm (ko) <angle_charmm>` |
+--------------------------------------------------+----------------------------------------+----------------------------------------------+----------------------------------------------------+
| :doc:`class2 (o) <angle_class2>` | :doc:`cosine (o) <angle_cosine>` | :doc:`cosine/delta (o) <angle_cosine_delta>` | :doc:`cosine/periodic (o) <angle_cosine_periodic>` |
+--------------------------------------------------+----------------------------------------+----------------------------------------------+----------------------------------------------------+
| :doc:`cosine/squared (o) <angle_cosine_squared>` | :doc:`harmonic (iko) <angle_harmonic>` | :doc:`table (o) <angle_table>` | |
+--------------------------------------------------+----------------------------------------+----------------------------------------------+----------------------------------------------------+
These are additional angle styles in USER packages, which can be used
if :ref:`LAMMPS is built with the appropriate package <start_3>`.
@ -744,11 +744,13 @@ be used if LAMMPS is built with the :doc:`appropriate accelerated package <Secti
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.
+------------------------------------------+-----------------------------------+-----------------------------------------------------+-------------------------------------+
| :doc:`none <dihedral_none>` | :doc:`hybrid <dihedral_hybrid>` | :doc:`charmm (ko) <dihedral_charmm>` | :doc:`class2 (o) <dihedral_class2>` |
+------------------------------------------+-----------------------------------+-----------------------------------------------------+-------------------------------------+
| :doc:`harmonic (io) <dihedral_harmonic>` | :doc:`helix (o) <dihedral_helix>` | :doc:`multi/harmonic (o) <dihedral_multi_harmonic>` | :doc:`opls (iko) <dihedral_opls>` |
+------------------------------------------+-----------------------------------+-----------------------------------------------------+-------------------------------------+
+-------------------------------------+------------------------------------------+-----------------------------------+-----------------------------------------------------+
| :doc:`none <dihedral_none>` | :doc:`zero <dihedral_zero>` | :doc:`hybrid <dihedral_hybrid>` | :doc:`charmm (ko) <dihedral_charmm>` |
+-------------------------------------+------------------------------------------+-----------------------------------+-----------------------------------------------------+
| :doc:`class2 (o) <dihedral_class2>` | :doc:`harmonic (io) <dihedral_harmonic>` | :doc:`helix (o) <dihedral_helix>` | :doc:`multi/harmonic (o) <dihedral_multi_harmonic>` |
+-------------------------------------+------------------------------------------+-----------------------------------+-----------------------------------------------------+
| :doc:`opls (iko) <dihedral_opls>` | | | |
+-------------------------------------+------------------------------------------+-----------------------------------+-----------------------------------------------------+
These are additional dihedral styles in USER packages, which can be
used if :ref:`LAMMPS is built with the appropriate package <start_3>`.
@ -773,11 +775,11 @@ be used if LAMMPS is built with the :doc:`appropriate accelerated package <Secti
letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.
+------------------------------------------+-----------------------------------------+-------------------------------------+----------------------------------+
| :doc:`none <improper_none>` | :doc:`hybrid <improper_hybrid>` | :doc:`class2 (o) <improper_class2>` | :doc:`cvff (io) <improper_cvff>` |
+------------------------------------------+-----------------------------------------+-------------------------------------+----------------------------------+
| :doc:`harmonic (ko) <improper_harmonic>` | :doc:`umbrella (o) <improper_umbrella>` | | |
+------------------------------------------+-----------------------------------------+-------------------------------------+----------------------------------+
+----------------------------------+------------------------------------------+-----------------------------------------+-------------------------------------+
| :doc:`none <improper_none>` | :doc:`zero <improper_zero>` | :doc:`hybrid <improper_hybrid>` | :doc:`class2 (o) <improper_class2>` |
+----------------------------------+------------------------------------------+-----------------------------------------+-------------------------------------+
| :doc:`cvff (io) <improper_cvff>` | :doc:`harmonic (ko) <improper_harmonic>` | :doc:`umbrella (o) <improper_umbrella>` | |
+----------------------------------+------------------------------------------+-----------------------------------------+-------------------------------------+
These are additional improper styles in USER packages, which can be
used if :ref:`LAMMPS is built with the appropriate package <start_3>`.

5
doc/_sources/angle_none.txt
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@ -28,7 +28,10 @@ Restrictions
""""""""""""
none
**Related commands:** none
Related commands
""""""""""""""""
:doc:`angle_style zero <angle_zero>`
**Default:** none

1
doc/_sources/angle_style.txt
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@ -67,6 +67,7 @@ which are included in the LAMMPS distribution. The list of these with
links to the individual styles are given in the angle section of :ref:`this page <cmd_5>`.
* :doc:`angle_style none <angle_none>` - turn off angle interactions
* :doc:`angle_style zero <angle_zero>` - topology but no interactions
* :doc:`angle_style hybrid <angle_hybrid>` - define multiple styles of angle interactions
* :doc:`angle_style charmm <angle_charmm>` - CHARMM angle

51
doc/_sources/angle_zero.txt Normal file
View File

@ -0,0 +1,51 @@
.. index:: angle_style zero
angle_style zero command
========================
Syntax
""""""
.. parsed-literal::
angle_style zero
Examples
""""""""
.. parsed-literal::
angle_style zero
angle_coeff *
Description
"""""""""""
Using an angle style of zero means angle forces and energies are not
computed, but the geometry of angle triplets is still accessible to
other commands.
As an example, the :doc:`compute angle/local <compute_angle_local>`
command can be used to compute the theta values for the list of
triplets of angle atoms listed in the data file read by the
:doc:`read_data <read_data>` command. If no angle style is defined,
this command cannot be used.
Note that the :doc:`angle_coeff <angle_coeff>` command must be used for
all angle types, though no additional values are specified.
Restrictions
""""""""""""
none
Related commands
""""""""""""""""
:doc:`angle_style none <angle_none>`
**Default:** none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Section_commands.html#comm

11
doc/_sources/bond_none.txt
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@ -20,9 +20,12 @@ Examples
Description
"""""""""""
Using a bond style of none means bond forces are not computed, even if
pairs of bonded atoms were listed in the data file read by the
:doc:`read_data <read_data>` command.
Using a bond style of none means bond forces and energies are not
computed, even if pairs of bonded atoms were listed in the data file
read by the :doc:`read_data <read_data>` command.
See the :doc:`bond_style zero <bond_zero>` command for a way to
calculate bond statistics, but compute no bond interactions.
Restrictions
""""""""""""
@ -30,6 +33,8 @@ Restrictions
**Related commands:** none
:doc:`bond_style zero <bond_zero>`
**Default:** none

1
doc/_sources/bond_style.txt
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@ -78,6 +78,7 @@ which are included in the LAMMPS distribution. The list of these with
links to the individual styles are given in the bond section of :ref:`this page <cmd_5>`.
* :doc:`bond_style none <bond_none>` - turn off bonded interactions
* :doc:`bond_style zero <bond_zero>` - topology but no interactions
* :doc:`bond_style hybrid <bond_hybrid>` - define multiple styles of bond interactions
* :doc:`bond_style class2 <bond_class2>` - COMPASS (class 2) bond

50
doc/_sources/bond_zero.txt Normal file
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@ -0,0 +1,50 @@
.. index:: bond_style zero
bond_style zero command
=======================
Syntax
""""""
.. parsed-literal::
bond_style zero
Examples
""""""""
.. parsed-literal::
bond_style zero
bond_coeff *
Description
"""""""""""
Using an bond style of zero means bond forces and energies are not
computed, but the geometry of bond pairs is still accessible to other
commands.
As an example, the :doc:`compute bond/local <compute_bond_local>`
command can be used to compute distances for the list of pairs of bond
atoms listed in the data file read by the :doc:`read_data <read_data>`
command. If no bond style is defined, this command cannot be used.
Note that the :doc:`bond_coeff <bond_coeff>` command must be used for
all bond types, though no additional values are specified.
Restrictions
""""""""""""
none
Related commands
""""""""""""""""
:doc:`bond_style none <bond_none>`
**Default:** none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Section_commands.html#comm

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@ -20,15 +20,21 @@ Examples
Description
"""""""""""
Using an dihedral style of none means dihedral forces are not
computed, even if quadruplets of dihedral atoms were listed in the
Using a dihedral style of none means dihedral forces and energies are
not computed, even if quadruplets of dihedral atoms were listed in the
data file read by the :doc:`read_data <read_data>` command.
See the :doc:`dihedral_style zero <dihedral_zero>` command for a way to
calculate dihedral statistics, but compute no dihedral interactions.
Restrictions
""""""""""""
none
**Related commands:** none
Related commands
""""""""""""""""
:doc:`dihedral_style zero <dihedral_zero>`
**Default:** none

1
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@ -95,6 +95,7 @@ links to the individual styles are given in the dihedral section of
* :doc:`dihedral_style none <dihedral_none>` - turn off dihedral interactions
* :doc:`dihedral_style hybrid <dihedral_hybrid>` - define multiple styles of dihedral interactions
* :doc:`dihedral_style zero <dihedral_zero>` - topology but no interactions
* :doc:`dihedral_style charmm <dihedral_charmm>` - CHARMM dihedral
* :doc:`dihedral_style class2 <dihedral_class2>` - COMPASS (class 2) dihedral

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@ -0,0 +1,50 @@
.. index:: dihedral_style zero
dihedral_style zero command
===========================
Syntax
""""""
.. parsed-literal::
dihedral_style zero
Examples
""""""""
.. parsed-literal::
dihedral_style zero
dihedral_coeff *
Description
"""""""""""
Using a dihedral style of zero means dihedral forces and energies are
not computed, but the geometry of dihedral quadruplets is still
accessible to other commands.
As an example, the :doc:`compute dihedral/local <compute_dihedral_local>` command can be used to
compute the theta values for the list of quadruplets of dihderal atoms
listed in the data file read by the :doc:`read_data <read_data>`
command. If no dihedral style is defined, this command cannot be used.
Note that the :doc:`dihedral_coeff <dihedral_coeff>` command must be
used for all dihedral types, though no additional values are
specified.
Restrictions
""""""""""""
none
**Related commands:** none
:doc:`dihedral_style none <dihedral_none>`
**Default:** none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Section_commands.html#comm

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@ -20,15 +20,21 @@ Examples
Description
"""""""""""
Using an improper style of none means improper forces are not
computed, even if quadruplets of improper atoms were listed in the
Using an improper style of none means imroper forces and energies are
not computed, even if quadruplets of improper atoms were listed in the
data file read by the :doc:`read_data <read_data>` command.
See the :doc:`improper_style zero <improper_zero>` command for a way to
calculate improper statistics, but compute no improper interactions.
Restrictions
""""""""""""
none
**Related commands:** none
Related commands
""""""""""""""""
:doc:`improper_style zero <improper_zero>`
**Default:** none

1
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@ -71,6 +71,7 @@ links to the individual styles are given in the improper section of
:ref:`this page <cmd_5>`.
* :doc:`improper_style none <improper_none>` - turn off improper interactions
* :doc:`improper_style zero <improper_zero>` - topology but no interactions
* :doc:`improper_style hybrid <improper_hybrid>` - define multiple styles of improper interactions
* :doc:`improper_style class2 <improper_class2>` - COMPASS (class 2) improper

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@ -0,0 +1,51 @@
.. index:: improper_style zero
improper_style zero command
===========================
Syntax
""""""
.. parsed-literal::
improper_style zero
Examples
""""""""
.. parsed-literal::
improper_style zero
improper_coeff *
Description
"""""""""""
Using an improper style of zero means improper forces and energies are
not computed, but the geometry of improper quadruplets is still
accessible to other commands.
As an example, the :doc:`compute improper/local <compute_improper_local>` command can be used to
compute the chi values for the list of quadruplets of improper atoms
listed in the data file read by the :doc:`read_data <read_data>`
command. If no improper style is defined, this command cannot be
used.
Note that the :doc:`improper_coeff <improper_coeff>` command must be
used for all improper types, though no additional values are
specified.
Restrictions
""""""""""""
none
**Related commands:** none
:doc:`improper_style none <improper_none>`
**Default:** none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Section_commands.html#comm

8
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@ -35,11 +35,17 @@ distance is small, then these data structures can consume a large
amount of memory. So you should either set the neighbor style to
*nsq* or set the skin distance to a larger value.
See the :doc:`pair_style zero <pair_zero>` for a way to trigger the
building of a neighbor lists, but compute no pairwise interactions.
Restrictions
""""""""""""
none
**Related commands:** none
Related commands
""""""""""""""""
:doc:`pair_style zero <pair_zero>`
**Default:** none

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@ -101,6 +101,7 @@ in the pair section of :ref:`this page <cmd_5>`.
* :doc:`pair_style none <pair_none>` - turn off pairwise interactions
* :doc:`pair_style hybrid <pair_hybrid>` - multiple styles of pairwise interactions
* :doc:`pair_style hybrid/overlay <pair_hybrid>` - multiple styles of superposed pairwise interactions
* :doc:`pair_style zero <pair_zero>` - neighbor list but no interactions
* :doc:`pair_style adp <pair_adp>` - angular dependent potential (ADP) of Mishin
* :doc:`pair_style airebo <pair_airebo>` - AIREBO potential of Stuart

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@ -0,0 +1,65 @@
.. index:: pair_style zero
pair_style zero command
=======================
Syntax
""""""
.. parsed-literal::
pair_style zero cutoff
* zero = style name of this pair style
cutoff = global cutoff (distance units)
Examples
""""""""
.. parsed-literal::
pair_style zero
pair_coeff * *
pair_coeff 1 2 3.0
Description
"""""""""""
Define a global cutoff length for the purpose of building a neighbor
list and acquiring ghost atoms, but do not compute any pairwise
forces.
This can be useful for fixes or computes which require a neighbor list
to enumerate pairs of atoms within some cutoff distance, but when
pairwise forces are not otherwise needed. Examples are the :doc:`fix bond/create <fix_bond_create>`, :doc:`compute rdf <compute_rdf>`,
:doc:`compute voronoi/atom <compute_voronoi_atom>` commands.
Note that the :doc:`comm_modify cutoff <comm_modify>` command can be
used to insure communication of ghost atoms even when a pair style is
not defined, but it will not trigger neighbor list generation.
The following coefficients must be defined for each pair of atoms
types via the :doc:`pair_coeff <pair_coeff>` command as in the examples
above, or in the data file or restart files read by the
:doc:`read_data <read_data>` or :doc:`read_restart <read_restart>`
commands, or by mixing as described below:
* cutoff (distance units)
This coefficient is optional. If not specified, the global cutoff
specified in the pair_style command is used.
Restrictions
""""""""""""
none
Related commands
""""""""""""""""
:doc:`pair_style none <pair_none>`
**Default:** none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Section_commands.html#comm