diff --git a/doc/Section_commands.html b/doc/Section_commands.html index 39b4b3aa79..404afcb86d 100644 --- a/doc/Section_commands.html +++ b/doc/Section_commands.html @@ -847,97 +847,97 @@ letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.

+- + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + -
angle/local angmom/chunk body/localbond bond/local centro/atomchunk/atom
cluster/atom
chunk/atomcluster/atom cna/atom com com/chunk contact/atomcoord/atom
damage/atom
coord/atomdamage/atom dihedral/local dilatation/atom displace/atom erotate/asphereerotate/rigid
erotate/sphere
erotate/rigiderotate/sphere erotate/sphere/atom event/displace group/group gyrationgyration/chunk
heat/flux
gyration/chunkheat/flux hexorder/atom improper/local inertia/chunk keke/atom
ke/rigid
ke/atomke/rigid msd msd/chunk msd/nongauss omega/chunkorientorder/atom
pair
orientorder/atompair pair/local pe (c) pe/atom plasticity/atompressure (c)
property/atom
pressure (c)property/atom property/local property/chunk rdf reducereduce/region
slice
reduce/regionslice sna/atom snad/atom snav/atom stress/atomtemp (ck)
temp/asphere
temp (ck)temp/asphere temp/body temp/chunk temp/com temp/deformtemp/partial (c)
temp/profile
temp/partial (c)temp/profile temp/ramp temp/region temp/sphere titorque/chunk
vacf
torque/chunkvacf vcm/chunk voronoi/atom     
diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index e4612d66a2..69a65e7702 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -671,8 +671,8 @@ KOKKOS, o = USER-OMP, t = OPT. "angle/local"_compute_angle_local.html, "angmom/chunk"_compute_angmom_chunk.html, -"bond"_compute_bond.html, "body/local"_compute_body_local.html, +"bond"_compute_bond.html, "bond/local"_compute_bond_local.html, "centro/atom"_compute_centro_atom.html, "chunk/atom"_compute_chunk_atom.html, diff --git a/doc/_sources/Section_commands.txt b/doc/_sources/Section_commands.txt index f65a267094..33f6092f02 100644 --- a/doc/_sources/Section_commands.txt +++ b/doc/_sources/Section_commands.txt @@ -524,31 +524,31 @@ is built with the :doc:`appropriate accelerated package `. letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ -| :doc:`angle/local ` | :doc:`angmom/chunk ` | :doc:`body/local ` | :doc:`bond/local ` | :doc:`centro/atom ` | :doc:`chunk/atom ` | -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ -| :doc:`cluster/atom ` | :doc:`cna/atom ` | :doc:`com ` | :doc:`com/chunk ` | :doc:`contact/atom ` | :doc:`coord/atom ` | -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ -| :doc:`damage/atom ` | :doc:`dihedral/local ` | :doc:`dilatation/atom ` | :doc:`displace/atom ` | :doc:`erotate/asphere ` | :doc:`erotate/rigid ` | -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ -| :doc:`erotate/sphere ` | :doc:`erotate/sphere/atom ` | :doc:`event/displace ` | :doc:`group/group ` | :doc:`gyration ` | :doc:`gyration/chunk ` | -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ -| :doc:`heat/flux ` | :doc:`hexorder/atom ` | :doc:`improper/local ` | :doc:`inertia/chunk ` | :doc:`ke ` | :doc:`ke/atom ` | -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ -| :doc:`ke/rigid ` | :doc:`msd ` | :doc:`msd/chunk ` | :doc:`msd/nongauss ` | :doc:`omega/chunk ` | :doc:`orientorder/atom ` | -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ -| :doc:`pair ` | :doc:`pair/local ` | :doc:`pe (c) ` | :doc:`pe/atom ` | :doc:`plasticity/atom ` | :doc:`pressure (c) ` | -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ -| :doc:`property/atom ` | :doc:`property/local ` | :doc:`property/chunk ` | :doc:`rdf ` | :doc:`reduce ` | :doc:`reduce/region ` | -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ -| :doc:`slice ` | :doc:`sna/atom ` | :doc:`snad/atom ` | :doc:`snav/atom ` | :doc:`stress/atom ` | :doc:`temp (ck) ` | -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ -| :doc:`temp/asphere ` | :doc:`temp/body ` | :doc:`temp/chunk ` | :doc:`temp/com ` | :doc:`temp/deform ` | :doc:`temp/partial (c) ` | -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ -| :doc:`temp/profile ` | :doc:`temp/ramp ` | :doc:`temp/region ` | :doc:`temp/sphere ` | :doc:`ti ` | :doc:`torque/chunk ` | -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ -| :doc:`vacf ` | :doc:`vcm/chunk ` | :doc:`voronoi/atom ` | | | | -+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+----------------------------------------------------+ ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ +| :doc:`angle/local ` | :doc:`angmom/chunk ` | :doc:`body/local ` | :doc:`bond ` | :doc:`bond/local ` | :doc:`centro/atom ` | ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ +| :doc:`chunk/atom ` | :doc:`cluster/atom ` | :doc:`cna/atom ` | :doc:`com ` | :doc:`com/chunk ` | :doc:`contact/atom ` | ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ +| :doc:`coord/atom ` | :doc:`damage/atom ` | :doc:`dihedral/local ` | :doc:`dilatation/atom ` | :doc:`displace/atom ` | :doc:`erotate/asphere ` | ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ +| :doc:`erotate/rigid ` | :doc:`erotate/sphere ` | :doc:`erotate/sphere/atom ` | :doc:`event/displace ` | :doc:`group/group ` | :doc:`gyration ` | ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ +| :doc:`gyration/chunk ` | :doc:`heat/flux ` | :doc:`hexorder/atom ` | :doc:`improper/local ` | :doc:`inertia/chunk ` | :doc:`ke ` | ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ +| :doc:`ke/atom ` | :doc:`ke/rigid ` | :doc:`msd ` | :doc:`msd/chunk ` | :doc:`msd/nongauss ` | :doc:`omega/chunk ` | ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ +| :doc:`orientorder/atom ` | :doc:`pair ` | :doc:`pair/local ` | :doc:`pe (c) ` | :doc:`pe/atom ` | :doc:`plasticity/atom ` | ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ +| :doc:`pressure (c) ` | :doc:`property/atom ` | :doc:`property/local ` | :doc:`property/chunk ` | :doc:`rdf ` | :doc:`reduce ` | ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ +| :doc:`reduce/region ` | :doc:`slice ` | :doc:`sna/atom ` | :doc:`snad/atom ` | :doc:`snav/atom ` | :doc:`stress/atom ` | ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ +| :doc:`temp (ck) ` | :doc:`temp/asphere ` | :doc:`temp/body ` | :doc:`temp/chunk ` | :doc:`temp/com ` | :doc:`temp/deform ` | ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ +| :doc:`temp/partial (c) ` | :doc:`temp/profile ` | :doc:`temp/ramp ` | :doc:`temp/region ` | :doc:`temp/sphere ` | :doc:`ti ` | ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ +| :doc:`torque/chunk ` | :doc:`vacf ` | :doc:`vcm/chunk ` | :doc:`voronoi/atom ` | | | ++----------------------------------------------------+------------------------------------------------+----------------------------------------------------------+--------------------------------------------------+----------------------------------------------+--------------------------------------------------+ These are additional compute styles in USER packages, which can be used if :ref:`LAMMPS is built with the appropriate package `. diff --git a/doc/_sources/compute.txt b/doc/_sources/compute.txt index 1ae06a0f85..275d19f6ee 100644 --- a/doc/_sources/compute.txt +++ b/doc/_sources/compute.txt @@ -177,6 +177,7 @@ section of :ref:`this page `. * :doc:`angle/local ` - theta and energy of each angle * :doc:`angmom/chunk ` - angular momentum for each chunk * :doc:`body/local ` - attributes of body sub-particles +* :doc:`bond ` - values computed by a bond style * :doc:`bond/local ` - distance and energy of each bond * :doc:`centro/atom ` - centro-symmetry parameter for each atom * :doc:`chunk/atom ` - assign chunk IDs to each atom diff --git a/doc/compute.html b/doc/compute.html index a60da4aac4..94cb8389dc 100644 --- a/doc/compute.html +++ b/doc/compute.html @@ -278,6 +278,7 @@ section of angle/local - theta and energy of each angle
  • angmom/chunk - angular momentum for each chunk
  • body/local - attributes of body sub-particles
  • +
  • bond - values computed by a bond style
  • bond/local - distance and energy of each bond
  • centro/atom - centro-symmetry parameter for each atom
  • chunk/atom - assign chunk IDs to each atom
  • diff --git a/doc/compute.txt b/doc/compute.txt index f6f730432a..b847985bf7 100644 --- a/doc/compute.txt +++ b/doc/compute.txt @@ -172,6 +172,7 @@ section of "this page"_Section_commands.html#cmd_5. "angle/local"_compute_bond_local.html - theta and energy of each angle "angmom/chunk"_compute_angmom_chunk.html - angular momentum for each chunk "body/local"_compute_body_local.html - attributes of body sub-particles +"bond"_compute_bond.html - values computed by a bond style "bond/local"_compute_bond_local.html - distance and energy of each bond "centro/atom"_compute_centro_atom.html - centro-symmetry parameter for each atom "chunk/atom"_compute_chunk_atom.html - assign chunk IDs to each atom