Commit 0583fb6a authored by Steve Plimpton's avatar Steve Plimpton
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update rst file also

parent 82ecce8a
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+----------------------------------------+------------------------------------+------------------------------------------+
| :doc:`General commands <Commands_all>` | :doc:`Fix styles <Commands_fix>`   | :doc:`Compute styles <Commands_compute>` |
+----------------------------------------+------------------------------------+------------------------------------------+
| :doc:`Pair styles <Commands_pair>`     | :doc:`Bond styles <Commands_bond>` | :ref:`Angle styles <angle>`              |
+----------------------------------------+------------------------------------+------------------------------------------+
| :ref:`Dihedral styles <dihedral>`      | :ref:`Improper styles <improper>`  | :doc:`KSpace styles <Commands_kspace>`   |
+----------------------------------------+------------------------------------+------------------------------------------+

Compute commands
================

An alphabetic list of all LAMMPS :doc:`compute <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 <compute_ackland_atom>`                       | :doc:`adf <compute_adf>`                                     | :doc:`aggregate/atom <compute_cluster_atom>`         | :doc:`angle <compute_angle>`                                 | :doc:`angle/local <compute_angle_local>`                   | :doc:`angmom/chunk <compute_angmom_chunk>`             |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`basal/atom <compute_basal_atom>`                           | :doc:`body/local <compute_body_local>`                       | :doc:`bond <compute_bond>`                           | :doc:`bond/local <compute_bond_local>`                       | :doc:`centro/atom <compute_centro_atom>`                   | :doc:`chunk/atom <compute_chunk_atom>`                 |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`chunk/spread/atom <compute_chunk_spread_atom>`             | :doc:`cluster/atom <compute_cluster_atom>`                   | :doc:`cna/atom <compute_cna_atom>`                   | :doc:`cnp/atom <compute_cnp_atom>`                           | :doc:`com <compute_com>`                                   | :doc:`com/chunk <compute_com_chunk>`                   |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`contact/atom <compute_contact_atom>`                       | :doc:`coord/atom <compute_coord_atom>`                       | :doc:`damage/atom <compute_damage_atom>`             | :doc:`dihedral <compute_dihedral>`                           | :doc:`dihedral/local <compute_dihedral_local>`             | :doc:`dilatation/atom <compute_dilatation_atom>`       |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`dipole/chunk <compute_dipole_chunk>`                       | :doc:`displace/atom <compute_displace_atom>`                 | :doc:`dpd <compute_dpd>`                             | :doc:`dpd/atom <compute_dpd_atom>`                           | :doc:`edpd/temp/atom <compute_edpd_temp_atom>`             | :doc:`entropy/atom <compute_entropy_atom>`             |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`erotate/asphere <compute_erotate_asphere>`                 | :doc:`erotate/rigid <compute_erotate_rigid>`                 | :doc:`erotate/sphere <compute_erotate_sphere>`       | :doc:`erotate/sphere/atom <compute_erotate_sphere_atom>`     | :doc:`event/displace <compute_event_displace>`             | :doc:`fep <compute_fep>`                               |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`force/tally <compute_tally>`                               | :doc:`fragment/atom <compute_cluster_atom>`                  | :doc:`global/atom <compute_global_atom>`             | :doc:`group/group <compute_group_group>`                     | :doc:`gyration <compute_gyration>`                         | :doc:`gyration/chunk <compute_gyration_chunk>`         |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`gyration/shape <compute_gyration_shape>`                   | :doc:`heat/flux <compute_heat_flux>`                         | :doc:`heat/flux/tally <compute_tally>`               | :doc:`hexorder/atom <compute_hexorder_atom>`                 | :doc:`hma <compute_hma>`                                   | :doc:`improper <compute_improper>`                     |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`improper/local <compute_improper_local>`                   | :doc:`inertia/chunk <compute_inertia_chunk>`                 | :doc:`ke <compute_ke>`                               | :doc:`ke/atom <compute_ke_atom>`                             | :doc:`ke/atom/eff <compute_ke_atom_eff>`                   | :doc:`ke/eff <compute_ke_eff>`                         |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`ke/rigid <compute_ke_rigid>`                               | :doc:`meso/e/atom <compute_meso_e_atom>`                     | :doc:`meso/rho/atom <compute_meso_rho_atom>`         | :doc:`meso/t/atom <compute_meso_t_atom>`                     | :doc:`momentum <compute_momentum>`                         | :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>`                                 | :doc:`pair/local <compute_pair_local>`                 |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`pe <compute_pe>`                                           | :doc:`pe/atom <compute_pe_atom>`                             | :doc:`pe/mol/tally <compute_tally>`                  | :doc:`pe/tally <compute_tally>`                              | :doc:`plasticity/atom <compute_plasticity_atom>`           | :doc:`pressure <compute_pressure>`                     |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`pressure/cylinder <compute_pressure_cylinder>`             | :doc:`pressure/uef <compute_pressure_uef>`                   | :doc:`property/atom <compute_property_atom>`         | :doc:`property/chunk <compute_property_chunk>`               | :doc:`property/local <compute_property_local>`             | :doc:`ptm/atom <compute_ptm_atom>`                     |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`rdf <compute_rdf>`                                         | :doc:`reduce <compute_reduce>`                               | :doc:`reduce/chunk <compute_reduce_chunk>`           | :doc:`reduce/region <compute_reduce>`                        | :doc:`rigid/local <compute_rigid_local>`                   | :doc:`saed <compute_saed>`                             |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`slice <compute_slice>`                                     | :doc:`smd/contact/radius <compute_smd_contact_radius>`       | :doc:`smd/damage <compute_smd_damage>`               | :doc:`smd/hourglass/error <compute_smd_hourglass_error>`     | :doc:`smd/internal/energy <compute_smd_internal_energy>`   | :doc:`smd/plastic/strain <compute_smd_plastic_strain>` |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`smd/plastic/strain/rate <compute_smd_plastic_strain_rate>` | :doc:`smd/rho <compute_smd_rho>`                             | :doc:`smd/tlsph/defgrad <compute_smd_tlsph_defgrad>` | :doc:`smd/tlsph/dt <compute_smd_tlsph_dt>`                   | :doc:`smd/tlsph/num/neighs <compute_smd_tlsph_num_neighs>` | :doc:`smd/tlsph/shape <compute_smd_tlsph_shape>`       |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`smd/tlsph/strain <compute_smd_tlsph_strain>`               | :doc:`smd/tlsph/strain/rate <compute_smd_tlsph_strain_rate>` | :doc:`smd/tlsph/stress <compute_smd_tlsph_stress>`   | :doc:`smd/triangle/vertices <compute_smd_triangle_vertices>` | :doc:`smd/ulsph/num/neighs <compute_smd_ulsph_num_neighs>` | :doc:`smd/ulsph/strain <compute_smd_ulsph_strain>`     |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`smd/ulsph/strain/rate <compute_smd_ulsph_strain_rate>`     | :doc:`smd/ulsph/stress <compute_smd_ulsph_stress>`           | :doc:`smd/vol <compute_smd_vol>`                     | :doc:`sna/atom <compute_sna_atom>`                           | :doc:`snad/atom <compute_sna_atom>`                        | :doc:`snav/atom <compute_sna_atom>`                    |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`spin <compute_spin>`                                       | :doc:`stress/atom <compute_stress_atom>`                     | :doc:`stress/mop <compute_stress_mop>`               | :doc:`stress/mop/profile <compute_stress_mop>`               | :doc:`stress/tally <compute_tally>`                        | :doc:`tdpd/cc/atom <compute_tdpd_cc_atom>`             |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`temp (k) <compute_temp>`                                   | :doc:`temp/asphere <compute_temp_asphere>`                   | :doc:`temp/body <compute_temp_body>`                 | :doc:`temp/chunk <compute_temp_chunk>`                       | :doc:`temp/com <compute_temp_com>`                         | :doc:`temp/cs <compute_temp_cs>`                       |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`temp/deform <compute_temp_deform>`                         | :doc:`temp/deform/eff <compute_temp_deform_eff>`             | :doc:`temp/drude <compute_temp_drude>`               | :doc:`temp/eff <compute_temp_eff>`                           | :doc:`temp/partial <compute_temp_partial>`                 | :doc:`temp/profile <compute_temp_profile>`             |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`temp/ramp <compute_temp_ramp>`                             | :doc:`temp/region <compute_temp_region>`                     | :doc:`temp/region/eff <compute_temp_region_eff>`     | :doc:`temp/rotate <compute_temp_rotate>`                     | :doc:`temp/sphere <compute_temp_sphere>`                   | :doc:`temp/uef <compute_temp_uef>`                     |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+
| :doc:`ti <compute_ti>`                                           | :doc:`torque/chunk <compute_torque_chunk>`                   | :doc:`vacf <compute_vacf>`                           | :doc:`vcm/chunk <compute_vcm_chunk>`                         | :doc:`voronoi/atom <compute_voronoi_atom>`                 | :doc:`xrd <compute_xrd>`                               |
+------------------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------+--------------------------------------------------------------+------------------------------------------------------------+--------------------------------------------------------+


.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Commands_all.html