ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Fix whitespace

Browse Source
This commit is contained in:
Navraj Lalli
2024-11-08 10:38:49 +00:00
parent 95899b53b8
commit e84c45c6e7
1 changed files with 4 additions and 4 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
doc/src/pair_reaxff.rst
View File

@ -124,9 +124,9 @@ Therefore, by default, LAMMPS requires that
:doc:`fix qeq/reaxff <fix_qeq_reaxff>` or :doc:`fix qeq/shielded <fix_qeq>` :doc:`fix qeq/reaxff <fix_qeq_reaxff>` or :doc:`fix qeq/shielded <fix_qeq>`
or :doc:`fix acks2/reaxff <fix_acks2_reaxff>` or :doc:`fix acks2/reaxff <fix_acks2_reaxff>`
or :doc:`fix qtpie/reaxff <fix_qtpie_reaxff>` or :doc:`fix qtpie/reaxff <fix_qtpie_reaxff>`
is used with *pair_style reaxff* when simulating a ReaxFF model, is used with *pair_style reaxff* when simulating a ReaxFF model,
to equilibrate the charges at each timestep. to equilibrate the charges at each timestep.
See the :doc:`fix qeq/reaxff <fix_qeq_reaxff>` or :doc:`fix qeq/shielded <fix_qeq>` See the :doc:`fix qeq/reaxff <fix_qeq_reaxff>` or :doc:`fix qeq/shielded <fix_qeq>`
or :doc:`fix acks2/reaxff <fix_acks2_reaxff>` or :doc:`fix acks2/reaxff <fix_acks2_reaxff>`
or :doc:`fix qtpie/reaxff <fix_qtpie_reaxff>` or :doc:`fix qtpie/reaxff <fix_qtpie_reaxff>`
command documentation for more details. 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 for the QEq fixes, allowing a simulation to be run without charge
equilibration. In this case, the static charges you assign to each equilibration. In this case, the static charges you assign to each
atom will be used for computing the electrostatic interactions in 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 Using the optional keyword *lgvdw* with the value *yes* turns on the
low-gradient correction of ReaxFF for long-range London Dispersion, low-gradient correction of ReaxFF for long-range London Dispersion,