Loading doc/src/pair_agni.rst +5 −2 Original line number Diff line number Diff line Loading @@ -105,8 +105,11 @@ Restrictions Currently, only elemental systems are implemented. Also, the method only provides access to the forces and not energies or stresses. However, one can access the energy via thermodynamic only provides access to the forces and not energies or stresses. The lack of potential energy data makes this pair style incompatible with several of the :doc:`minimizer algorthms <min_style>` like *cg* or *sd*\ . It should work with damped dynamics based minimizers like *fire* or *quickmin*\ . However, one can access the energy via thermodynamic integration of the forces as discussed in :ref:`(Botu3) <Botu2016construct>`. This pair style is part of the USER-MISC package. It is only enabled if LAMMPS was built with that Loading doc/txt/pair_agni.txt +5 −2 Original line number Diff line number Diff line Loading @@ -97,8 +97,11 @@ This pair style can only be used via the {pair} keyword of the [Restrictions:] Currently, only elemental systems are implemented. Also, the method only provides access to the forces and not energies or stresses. However, one can access the energy via thermodynamic only provides access to the forces and not energies or stresses. The lack of potential energy data makes this pair style incompatible with several of the "minimizer algorthms"_min_style.html like {cg} or {sd}. It should work with damped dynamics based minimizers like {fire} or {quickmin}. However, one can access the energy via thermodynamic integration of the forces as discussed in "(Botu3)"_#Botu2016construct. This pair style is part of the USER-MISC package. It is only enabled if LAMMPS was built with that Loading src/USER-MISC/pair_agni.cpp +1 −1 File changed.Contains only whitespace changes. Show changes Loading
doc/src/pair_agni.rst +5 −2 Original line number Diff line number Diff line Loading @@ -105,8 +105,11 @@ Restrictions Currently, only elemental systems are implemented. Also, the method only provides access to the forces and not energies or stresses. However, one can access the energy via thermodynamic only provides access to the forces and not energies or stresses. The lack of potential energy data makes this pair style incompatible with several of the :doc:`minimizer algorthms <min_style>` like *cg* or *sd*\ . It should work with damped dynamics based minimizers like *fire* or *quickmin*\ . However, one can access the energy via thermodynamic integration of the forces as discussed in :ref:`(Botu3) <Botu2016construct>`. This pair style is part of the USER-MISC package. It is only enabled if LAMMPS was built with that Loading
doc/txt/pair_agni.txt +5 −2 Original line number Diff line number Diff line Loading @@ -97,8 +97,11 @@ This pair style can only be used via the {pair} keyword of the [Restrictions:] Currently, only elemental systems are implemented. Also, the method only provides access to the forces and not energies or stresses. However, one can access the energy via thermodynamic only provides access to the forces and not energies or stresses. The lack of potential energy data makes this pair style incompatible with several of the "minimizer algorthms"_min_style.html like {cg} or {sd}. It should work with damped dynamics based minimizers like {fire} or {quickmin}. However, one can access the energy via thermodynamic integration of the forces as discussed in "(Botu3)"_#Botu2016construct. This pair style is part of the USER-MISC package. It is only enabled if LAMMPS was built with that Loading
