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add links to heat/flux/virial/tally and add short descriptions for tally computes

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Donatas Surblys
2021-07-20 13:31:41 +09:00
parent b00a281708
commit cfd9e31d18
2 changed files with 7 additions and 5 deletions
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1
doc/src/Commands_compute.rst
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@ -72,6 +72,7 @@ KOKKOS, o = OPENMP, t = OPT.
* :doc:`gyration/shape/chunk <compute_gyration_shape_chunk>`
* :doc:`heat/flux <compute_heat_flux>`
* :doc:`heat/flux/tally <compute_tally>`
* :doc:`heat/flux/virial/tally <compute_tally>`
* :doc:`hexorder/atom <compute_hexorder_atom>`
* :doc:`hma <compute_hma>`
* :doc:`improper <compute_improper>`

11
doc/src/compute.rst
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@ -208,7 +208,7 @@ The individual style names on the :doc:`Commands compute <Commands_compute>` doc
* :doc:`event/displace <compute_event_displace>` - detect event on atom displacement
* :doc:`fabric <compute_fabric>` - calculates fabric tensors from pair interactions
* :doc:`fep <compute_fep>` -
* :doc:`force/tally <compute_tally>` -
* :doc:`force/tally <compute_tally>` - force between two groups of atoms via the tally callback mechanism
* :doc:`fragment/atom <compute_cluster_atom>` - fragment ID for each atom
* :doc:`global/atom <compute_global_atom>` -
* :doc:`group/group <compute_group_group>` - energy/force between two groups of atoms
@ -217,7 +217,8 @@ The individual style names on the :doc:`Commands compute <Commands_compute>` doc
* :doc:`gyration/shape <compute_gyration_shape>` - shape parameters from gyration tensor
* :doc:`gyration/shape/chunk <compute_gyration_shape_chunk>` - shape parameters from gyration tensor for each chunk
* :doc:`heat/flux <compute_heat_flux>` - heat flux through a group of atoms
* :doc:`heat/flux/tally <compute_tally>` -
* :doc:`heat/flux/tally <compute_tally>` - heat flux through a group of atoms via the tally callback mechanism
* :doc:`heat/flux/virial/tally <compute_tally>` - virial heat flux between two groups via the tally callback mechanism
* :doc:`hexorder/atom <compute_hexorder_atom>` - bond orientational order parameter q6
* :doc:`hma <compute_hma>` - harmonically mapped averaging for atomic crystals
* :doc:`improper <compute_improper>` - energy of each improper sub-style
@ -240,8 +241,8 @@ The individual style names on the :doc:`Commands compute <Commands_compute>` doc
* :doc:`pe <compute_pe>` - potential energy
* :doc:`pe/atom <compute_pe_atom>` - potential energy for each atom
* :doc:`mesont <compute_mesont>` - Nanotube bending,stretching, and intertube energies
* :doc:`pe/mol/tally <compute_tally>` -
* :doc:`pe/tally <compute_tally>` -
* :doc:`pe/mol/tally <compute_tally>` - potential energy between two groups of atoms seperated into intermolecular and intramolecular components via the tally callback mechanism
* :doc:`pe/tally <compute_tally>` - potential energy between two groups of atoms via the tally callback mechanism
* :doc:`plasticity/atom <compute_plasticity_atom>` - Peridynamic plasticity for each atom
* :doc:`pressure <compute_pressure>` - total pressure and pressure tensor
* :doc:`pressure/cylinder <compute_pressure_cylinder>` - pressure tensor in cylindrical coordinates
@ -289,7 +290,7 @@ The individual style names on the :doc:`Commands compute <Commands_compute>` doc
* :doc:`stress/atom <compute_stress_atom>` - stress tensor for each atom
* :doc:`stress/mop <compute_stress_mop>` - normal components of the local stress tensor using the method of planes
* :doc:`stress/mop/profile <compute_stress_mop>` - profile of the normal components of the local stress tensor using the method of planes
* :doc:`stress/tally <compute_tally>` -
* :doc:`stress/tally <compute_tally>` - stress between two groups of atoms via the tally callback mechanism
* :doc:`tdpd/cc/atom <compute_tdpd_cc_atom>` - per-atom chemical concentration of a specified species for each tDPD particle
* :doc:`temp <compute_temp>` - temperature of group of atoms
* :doc:`temp/asphere <compute_temp_asphere>` - temperature of aspherical particles