diff --git a/doc/src/Commands_compute.rst b/doc/src/Commands_compute.rst new file mode 100644 index 0000000000..63926b6d61 --- /dev/null +++ b/doc/src/Commands_compute.rst @@ -0,0 +1,68 @@ ++----------------------------------------+------------------------------------+------------------------------------------+ +| :doc:`General commands ` | :doc:`Fix styles ` | :doc:`Compute styles ` | ++----------------------------------------+------------------------------------+------------------------------------------+ +| :doc:`Pair styles ` | :doc:`Bond styles ` | :ref:`Angle styles ` | ++----------------------------------------+------------------------------------+------------------------------------------+ +| :ref:`Dihedral styles ` | :ref:`Improper styles ` | :doc:`KSpace styles ` | ++----------------------------------------+------------------------------------+------------------------------------------+ + +Compute commands +================ + +An alphabetic list of all LAMMPS :doc:`compute ` commands. +Some styles have accelerated versions. This is indicated by +additional letters in parenthesis: g = GPU, i = USER-INTEL, k = +KOKKOS, o = USER-OMP, t = OPT. + ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`ackland/atom ` | :doc:`adf ` | :doc:`aggregate/atom ` | :doc:`angle ` | :doc:`angle/local ` | :doc:`angmom/chunk ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`basal/atom ` | :doc:`body/local ` | :doc:`bond ` | :doc:`bond/local ` | :doc:`centro/atom ` | :doc:`chunk/atom ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`chunk/spread/atom ` | :doc:`cluster/atom ` | :doc:`cna/atom ` | :doc:`cnp/atom ` | :doc:`com ` | :doc:`com/chunk ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`contact/atom ` | :doc:`coord/atom ` | :doc:`damage/atom ` | :doc:`dihedral ` | :doc:`dihedral/local ` | :doc:`dilatation/atom ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`dipole/chunk ` | :doc:`displace/atom ` | :doc:`dpd ` | :doc:`dpd/atom ` | :doc:`edpd/temp/atom ` | :doc:`entropy/atom ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`erotate/asphere ` | :doc:`erotate/rigid ` | :doc:`erotate/sphere ` | :doc:`erotate/sphere/atom ` | :doc:`event/displace ` | :doc:`fep ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`force/tally ` | :doc:`fragment/atom ` | :doc:`global/atom ` | :doc:`group/group ` | :doc:`gyration ` | :doc:`gyration/chunk ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`gyration/shape ` | :doc:`heat/flux ` | :doc:`heat/flux/tally ` | :doc:`hexorder/atom ` | :doc:`hma ` | :doc:`improper ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`improper/local ` | :doc:`inertia/chunk ` | :doc:`ke ` | :doc:`ke/atom ` | :doc:`ke/atom/eff ` | :doc:`ke/eff ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`ke/rigid ` | :doc:`meso/e/atom ` | :doc:`meso/rho/atom ` | :doc:`meso/t/atom ` | :doc:`momentum ` | :doc:`msd ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`msd/chunk ` | :doc:`msd/nongauss ` | :doc:`omega/chunk ` | :doc:`orientorder/atom ` | :doc:`pair ` | :doc:`pair/local ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`pe ` | :doc:`pe/atom ` | :doc:`pe/mol/tally ` | :doc:`pe/tally ` | :doc:`plasticity/atom ` | :doc:`pressure ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`pressure/cylinder ` | :doc:`pressure/uef ` | :doc:`property/atom ` | :doc:`property/chunk ` | :doc:`property/local ` | :doc:`ptm/atom ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`rdf ` | :doc:`reduce ` | :doc:`reduce/chunk ` | :doc:`reduce/region ` | :doc:`rigid/local ` | :doc:`saed ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`slice ` | :doc:`smd/contact/radius ` | :doc:`smd/damage ` | :doc:`smd/hourglass/error ` | :doc:`smd/internal/energy ` | :doc:`smd/plastic/strain ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`smd/plastic/strain/rate ` | :doc:`smd/rho ` | :doc:`smd/tlsph/defgrad ` | :doc:`smd/tlsph/dt ` | :doc:`smd/tlsph/num/neighs ` | :doc:`smd/tlsph/shape ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`smd/tlsph/strain ` | :doc:`smd/tlsph/strain/rate ` | :doc:`smd/tlsph/stress ` | :doc:`smd/triangle/vertices ` | :doc:`smd/ulsph/num/neighs ` | :doc:`smd/ulsph/strain ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`smd/ulsph/strain/rate ` | :doc:`smd/ulsph/stress ` | :doc:`smd/vol ` | :doc:`sna/atom ` | :doc:`snad/atom ` | :doc:`snav/atom ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`spin ` | :doc:`stress/atom ` | :doc:`stress/mop ` | :doc:`stress/mop/profile ` | :doc:`stress/tally ` | :doc:`tdpd/cc/atom ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`temp (k) ` | :doc:`temp/asphere ` | :doc:`temp/body ` | :doc:`temp/chunk ` | :doc:`temp/com ` | :doc:`temp/cs ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`temp/deform ` | :doc:`temp/deform/eff ` | :doc:`temp/drude ` | :doc:`temp/eff ` | :doc:`temp/partial ` | :doc:`temp/profile ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`temp/ramp ` | :doc:`temp/region ` | :doc:`temp/region/eff ` | :doc:`temp/rotate ` | :doc:`temp/sphere ` | :doc:`temp/uef ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ +| :doc:`ti ` | :doc:`torque/chunk ` | :doc:`vacf ` | :doc:`vcm/chunk ` | :doc:`voronoi/atom ` | :doc:`xrd ` | ++------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+ + + +.. _lws: http://lammps.sandia.gov +.. _ld: Manual.html +.. _lc: Commands_all.html