diff --git a/doc/src/pair_reaxff.rst b/doc/src/pair_reaxff.rst index 84403c15d1..495572dc0e 100644 --- a/doc/src/pair_reaxff.rst +++ b/doc/src/pair_reaxff.rst @@ -124,9 +124,9 @@ Therefore, by default, LAMMPS requires that :doc:`fix qeq/reaxff ` or :doc:`fix qeq/shielded ` or :doc:`fix acks2/reaxff ` or :doc:`fix qtpie/reaxff ` -is used with *pair_style reaxff* when simulating a ReaxFF model, -to equilibrate the charges at each timestep. -See the :doc:`fix qeq/reaxff ` or :doc:`fix qeq/shielded ` +is used with *pair_style reaxff* when simulating a ReaxFF model, +to equilibrate the charges at each timestep. +See the :doc:`fix qeq/reaxff ` or :doc:`fix qeq/shielded ` or :doc:`fix acks2/reaxff ` or :doc:`fix qtpie/reaxff ` command documentation for more details. @@ -135,7 +135,7 @@ Using the keyword *checkqeq* with the value *no* turns off the check for the QEq fixes, allowing a simulation to be run without charge equilibration. In this case, the static charges you assign to each atom will be used for computing the electrostatic interactions in -the system. +the system. Using the optional keyword *lgvdw* with the value *yes* turns on the low-gradient correction of ReaxFF for long-range London Dispersion,