Loading doc/src/atc_atom_element_map.rst +5 −0 Original line number Diff line number Diff line Loading @@ -35,6 +35,11 @@ Restrictions Cannot change map type after initialization. Related AtC commands """""""""""""""""""" - :ref:`fix_modify AtC command overview <atc_fix_modify>` Default """"""" Loading doc/src/atc_boundary_type.rst +5 −0 Original line number Diff line number Diff line Loading @@ -34,6 +34,11 @@ Restrictions None. Related AtC commands """""""""""""""""""" - :ref:`fix_modify AtC command overview <atc_fix_modify>` Default """"""" Loading doc/src/atc_control_localized_lambda.rst 0 → 100644 +46 −0 Original line number Diff line number Diff line .. index:: fix_modify AtC control localized_lambda fix_modify AtC control localized_lambda command =============================================== Syntax """""" .. parsed-literal:: fix_modify <AtC fixID> control localized_lambda <on|off> * AtC fixID = ID of :doc:`fix atc <fix_atc>` instance * control localized_lambda = name of the AtC sub-command * *on* or *off* = Toggles state of localization algorithm Examples """""""" .. code-block:: LAMMPS fix_modify AtC control localized_lambda on Description """"""""""" Turns the localization algorithms *on* or *off* for control algorithms to restrict the influence of FE coupling or boundary conditions to a region near the boundary of the MD region. Control algorithms will not affect atoms in elements not possessing faces on the boundary of the region. Flux-based control is localized via row-sum lumping while quantity control is done by solving a truncated matrix equation. Restrictions """""""""""" None. Related AtC commands """""""""""""""""""" - :ref:`fix_modify AtC command overview <atc_fix_modify>` Default """"""" off doc/src/atc_control_momentum.rst +2 −1 Original line number Diff line number Diff line Loading @@ -68,7 +68,8 @@ They are ignored if a lumped solution is requested. Related AtC commands """""""""""""""""""" :doc:`fix_modify AtC control thermal <atc_control_thermal>` - :ref:`fix_modify AtC command overview <atc_fix_modify>` - :doc:`fix_modify AtC control thermal <atc_control_thermal>` Default """"""" Loading doc/src/atc_control_thermal.rst +2 −1 Original line number Diff line number Diff line Loading @@ -75,7 +75,8 @@ the fractional step method. Related AtC commands """""""""""""""""""" :doc:`fix_modify AtC control momentum <atc_control_momentum>` - :ref:`fix_modify AtC command overview <atc_fix_modify>` - :doc:`fix_modify AtC control momentum <atc_control_momentum>` Default """"""" Loading Loading
doc/src/atc_atom_element_map.rst +5 −0 Original line number Diff line number Diff line Loading @@ -35,6 +35,11 @@ Restrictions Cannot change map type after initialization. Related AtC commands """""""""""""""""""" - :ref:`fix_modify AtC command overview <atc_fix_modify>` Default """"""" Loading
doc/src/atc_boundary_type.rst +5 −0 Original line number Diff line number Diff line Loading @@ -34,6 +34,11 @@ Restrictions None. Related AtC commands """""""""""""""""""" - :ref:`fix_modify AtC command overview <atc_fix_modify>` Default """"""" Loading
doc/src/atc_control_localized_lambda.rst 0 → 100644 +46 −0 Original line number Diff line number Diff line .. index:: fix_modify AtC control localized_lambda fix_modify AtC control localized_lambda command =============================================== Syntax """""" .. parsed-literal:: fix_modify <AtC fixID> control localized_lambda <on|off> * AtC fixID = ID of :doc:`fix atc <fix_atc>` instance * control localized_lambda = name of the AtC sub-command * *on* or *off* = Toggles state of localization algorithm Examples """""""" .. code-block:: LAMMPS fix_modify AtC control localized_lambda on Description """"""""""" Turns the localization algorithms *on* or *off* for control algorithms to restrict the influence of FE coupling or boundary conditions to a region near the boundary of the MD region. Control algorithms will not affect atoms in elements not possessing faces on the boundary of the region. Flux-based control is localized via row-sum lumping while quantity control is done by solving a truncated matrix equation. Restrictions """""""""""" None. Related AtC commands """""""""""""""""""" - :ref:`fix_modify AtC command overview <atc_fix_modify>` Default """"""" off
doc/src/atc_control_momentum.rst +2 −1 Original line number Diff line number Diff line Loading @@ -68,7 +68,8 @@ They are ignored if a lumped solution is requested. Related AtC commands """""""""""""""""""" :doc:`fix_modify AtC control thermal <atc_control_thermal>` - :ref:`fix_modify AtC command overview <atc_fix_modify>` - :doc:`fix_modify AtC control thermal <atc_control_thermal>` Default """"""" Loading
doc/src/atc_control_thermal.rst +2 −1 Original line number Diff line number Diff line Loading @@ -75,7 +75,8 @@ the fractional step method. Related AtC commands """""""""""""""""""" :doc:`fix_modify AtC control momentum <atc_control_momentum>` - :ref:`fix_modify AtC command overview <atc_fix_modify>` - :doc:`fix_modify AtC control momentum <atc_control_momentum>` Default """"""" Loading
