Fix whitespace
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@ -124,9 +124,9 @@ Therefore, by default, LAMMPS requires that
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:doc:`fix qeq/reaxff <fix_qeq_reaxff>` or :doc:`fix qeq/shielded <fix_qeq>`
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or :doc:`fix acks2/reaxff <fix_acks2_reaxff>`
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or :doc:`fix qtpie/reaxff <fix_qtpie_reaxff>`
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is used with *pair_style reaxff* when simulating a ReaxFF model,
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to equilibrate the charges at each timestep.
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See the :doc:`fix qeq/reaxff <fix_qeq_reaxff>` or :doc:`fix qeq/shielded <fix_qeq>`
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is used with *pair_style reaxff* when simulating a ReaxFF model,
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to equilibrate the charges at each timestep.
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See the :doc:`fix qeq/reaxff <fix_qeq_reaxff>` or :doc:`fix qeq/shielded <fix_qeq>`
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or :doc:`fix acks2/reaxff <fix_acks2_reaxff>`
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or :doc:`fix qtpie/reaxff <fix_qtpie_reaxff>`
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command documentation for more details.
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@ -135,7 +135,7 @@ Using the keyword *checkqeq* with the value *no* turns off the check
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for the QEq fixes, allowing a simulation to be run without charge
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equilibration. In this case, the static charges you assign to each
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atom will be used for computing the electrostatic interactions in
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the system.
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the system.
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Using the optional keyword *lgvdw* with the value *yes* turns on the
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low-gradient correction of ReaxFF for long-range London Dispersion,
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