Loading doc/src/compute_hma.txt +5 −1 Original line number Diff line number Diff line Loading @@ -159,7 +159,7 @@ scalar value will be in energy "units"_units.html. [Restrictions:] This compute is distributed as the USER-HMA package. It is only This compute is part of the USER-MISC package. It is only enabled if LAMMPS was built with that package. See the "Build package"_Build_package.html doc page for more info. Loading @@ -169,6 +169,10 @@ Usage restricted to canonical (NVT) ensemble simulation only. "compute pe"_compute_pe.html, "compute pressure"_compute_pressure.html "dynamical matrix"_dynamical_matrix.html provides a finite difference formulation of the hessian provided by Pair's single_hessian, which is used by this compute. [Default:] none :line Loading doc/src/dynamical_matrix.txt +3 −0 Original line number Diff line number Diff line Loading @@ -47,6 +47,9 @@ package"_Build_package.html doc page for more info. "fix phonon"_fix_phonon.html "compute hma"_compute_hma.html uses an analytic formulation of the hessian provided by Pair's single_hessian. [Default:] The default settings are file = "dynmat.dyn", binary = no Loading
doc/src/compute_hma.txt +5 −1 Original line number Diff line number Diff line Loading @@ -159,7 +159,7 @@ scalar value will be in energy "units"_units.html. [Restrictions:] This compute is distributed as the USER-HMA package. It is only This compute is part of the USER-MISC package. It is only enabled if LAMMPS was built with that package. See the "Build package"_Build_package.html doc page for more info. Loading @@ -169,6 +169,10 @@ Usage restricted to canonical (NVT) ensemble simulation only. "compute pe"_compute_pe.html, "compute pressure"_compute_pressure.html "dynamical matrix"_dynamical_matrix.html provides a finite difference formulation of the hessian provided by Pair's single_hessian, which is used by this compute. [Default:] none :line Loading
doc/src/dynamical_matrix.txt +3 −0 Original line number Diff line number Diff line Loading @@ -47,6 +47,9 @@ package"_Build_package.html doc page for more info. "fix phonon"_fix_phonon.html "compute hma"_compute_hma.html uses an analytic formulation of the hessian provided by Pair's single_hessian. [Default:] The default settings are file = "dynmat.dyn", binary = no
