File tree Expand file tree Collapse file tree 2 files changed +3
-6
lines changed Expand file tree Collapse file tree 2 files changed +3
-6
lines changed Original file line number Diff line number Diff line change 22lammps-tutorials.pdf
33
44# LaTex files for the manuscript
5+ lammps-tutorials.pdf
56lammps-tutorials.aux
67lammps-tutorials.log
78lammps-tutorials.out
Original file line number Diff line number Diff line change @@ -3708,13 +3708,12 @@ \subsubsection{Adding water}
37083708atom_style full
37093709neighbor 1.0 bin
37103710neigh_modify delay 1
3711- pair_style lj/cut/tip4p/long OW HW OW-HW HW-OW-HW 0.1546 10
3711+ pair_style lj/cut/tip4p/long OW HW OW-HW HW-OW-HW &
3712+ 0.1546 10
37123713kspace_style pppm/tip4p 1.0e-5
37133714bond_style harmonic
37143715angle_style harmonic
37153716\end {lstlisting }
3716- % Combining the two force fields, Vashishta and TIP4P/2005, is achieved
3717- % using the \lmpcmd{hybrid/overlay} pair style.
37183717The PPPM solver~\cite {luty1996calculating } is specified with the \lmpcmd {kspace}
37193718command, and is used to compute the long-range Coulomb interactions associated
37203719with \lmpcmd {tip4p/long}. Finally, the form of the bond
@@ -3810,9 +3809,6 @@ \subsubsection{Adding water}
38103809bond_coeff OW-HW 0 0.9572
38113810angle_coeff HW-OW-HW 0 104.52
38123811\end {lstlisting }
3813- % The force field Vashishta applies only to \lmpcmd{Si} and \lmpcmd{O} of $\text{SiO}_2$,
3814- % and not to the \lmpcmd{OW} and \lmpcmd{HW} of $\text{H}_2\text{O}$, thanks to the \lmpcmd{NULL} parameters
3815- % used for atoms of types \lmpcmd{OW} and \lmpcmd{HW}.
38163812Pair coefficients for the \lmpcmd {lj/cut/tip4p/long} pair style are
38173813defined between O($ \text {H}_2 \text {O}$ ) and between H($ \text {H}_2 \text {O}$ )
38183814atoms, as well as between O($ \text {SiO}_2 $ )-O($ \text {H}_2 \text {O}$ ) and
You can’t perform that action at this time.
0 commit comments