Loading doc/src/pair_mesocnt.rst +8 −5 Original line number Diff line number Diff line Loading @@ -40,7 +40,7 @@ chain approach outlined in :ref:`(Volkov2) <Volkov2>`. This allows to simplify the computation of the interactions significantly and reduces the computational times to the same order of magnitude as for regular bead spring models where beads interact with the standard :doc:`pair\_lj/cut <pair_lj>` where beads interact with the standard :doc:`pair_lj/cut <pair_lj>` potential. In LAMMPS, cylindrical segments are represented by bonds. Each Loading Loading @@ -69,6 +69,8 @@ given in eV and Gamma is unitless. Potential files for CNTs can be readily generated using the freely available code provided on .. parsed-literal:: https://github.com/phankl/cntpot Using the same approach, it should also be possible to Loading Loading @@ -106,11 +108,12 @@ This pair style does not support mixing. This pair style does not support the :doc:`pair\_modify <pair_modify>` shift, table, and tail options. The mesocnt pair style do not write their information to :doc:`binary restart files <restart>`, since it is stored in tabulated potential files. The *mesocnt* pair style do not write their information to :doc:`binary restart files <restart>`, since it is stored in tabulated potential files. Thus, you need to re-specify the pair\_style and pair\_coeff commands in an input script that reads a restart file. These pair style can only be used via the *pair* keyword of the This pair style can only be used via the *pair* keyword of the :doc:`run\_style respa <run_style>` command. They do not support the *inner*\ , *middle*\ , *outer* keywords. Loading @@ -122,7 +125,7 @@ Restrictions """""""""""" The mesocnt pair style is part of the USER-MISC package. It is only This style is part of the USER-MISC package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info. This pair potential requires the :doc:`newton <newton>` setting to be Loading Loading
doc/src/pair_mesocnt.rst +8 −5 Original line number Diff line number Diff line Loading @@ -40,7 +40,7 @@ chain approach outlined in :ref:`(Volkov2) <Volkov2>`. This allows to simplify the computation of the interactions significantly and reduces the computational times to the same order of magnitude as for regular bead spring models where beads interact with the standard :doc:`pair\_lj/cut <pair_lj>` where beads interact with the standard :doc:`pair_lj/cut <pair_lj>` potential. In LAMMPS, cylindrical segments are represented by bonds. Each Loading Loading @@ -69,6 +69,8 @@ given in eV and Gamma is unitless. Potential files for CNTs can be readily generated using the freely available code provided on .. parsed-literal:: https://github.com/phankl/cntpot Using the same approach, it should also be possible to Loading Loading @@ -106,11 +108,12 @@ This pair style does not support mixing. This pair style does not support the :doc:`pair\_modify <pair_modify>` shift, table, and tail options. The mesocnt pair style do not write their information to :doc:`binary restart files <restart>`, since it is stored in tabulated potential files. The *mesocnt* pair style do not write their information to :doc:`binary restart files <restart>`, since it is stored in tabulated potential files. Thus, you need to re-specify the pair\_style and pair\_coeff commands in an input script that reads a restart file. These pair style can only be used via the *pair* keyword of the This pair style can only be used via the *pair* keyword of the :doc:`run\_style respa <run_style>` command. They do not support the *inner*\ , *middle*\ , *outer* keywords. Loading @@ -122,7 +125,7 @@ Restrictions """""""""""" The mesocnt pair style is part of the USER-MISC package. It is only This style is part of the USER-MISC package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info. This pair potential requires the :doc:`newton <newton>` setting to be Loading
