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make water bond label consistent throughout
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lammps-tutorials.tex

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -1863,7 +1863,7 @@ \subsubsection{Preparing the water reservoir}
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will use the atom types from the GROMOS 54A7 force field. In this example, the atom
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types are defined in \textit{PARM.lmp}, within which the \textit{mass}
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and \textit{pair\_coeff} of atoms of types OW and HW are for water and the remaining
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atom types are for the polymer molecule. Similarly, the \textit{bond\_coeff HW-OW}
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atom types are for the polymer molecule. Similarly, the \textit{bond\_coeff OW-HW}
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and \textit{angle\_coeff HW-OW-HW} are for water, while all the other parameters
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are for the polymer.
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@@ -3375,7 +3375,7 @@ \subsubsection{Adding water}
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neighbor 1.0 bin
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neigh_modify delay 1
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pair_style hybrid/overlay vashishta &
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lj/cut/tip4p/long OW HW HW-OW HW-OW-HW &
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lj/cut/tip4p/long OW HW OW-HW HW-OW-HW &
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0.1546 10
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kspace_style pppm/tip4p 1.0e-4
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bond_style harmonic
@@ -3439,7 +3439,7 @@ \subsubsection{Adding water}
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Bond Type Labels
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1 HW-OW
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1 OW-HW
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Angle Type Labels
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@@ -3487,7 +3487,7 @@ \subsubsection{Adding water}
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pair_coeff O OW lj/cut/tip4p/long 0.0043 3.12
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pair_coeff OW OW lj/cut/tip4p/long 0.008 3.1589
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pair_coeff HW HW lj/cut/tip4p/long 0.0 0.0
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bond_coeff HW-OW 0 0.9572
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bond_coeff OW-HW 0 0.9572
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angle_coeff HW-OW-HW 0 104.52
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\end{verbatim}}
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The force field Vashishta applies only to Si and O of $\text{SiO}_2$,
@@ -3506,7 +3506,7 @@ \subsubsection{Adding water}
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thermo_style custom step temp etotal v_nO
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thermo 1000
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fix shak H2O shake 1.0e-4 200 0 b HW-OW &
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fix shak H2O shake 1.0e-4 200 0 b OW-HW &
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a HW-OW-HW mol h2omol
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\end{verbatim}}
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The number of oxygen atoms from water molecules (i.e. the number of molecules)

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