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multiscale
lammps
Commits
af1fc45d
Commit
af1fc45d
authored
7 years ago
by
David Nicholson
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added citation to doc
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doc/src/fix_nh_uef.txt
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af1fc45d
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@@ -42,9 +42,11 @@ Simulations under extensional flow may be carried out for an
...
@@ -42,9 +42,11 @@ Simulations under extensional flow may be carried out for an
indefinite amount of time. It is an implementation of the boundary
indefinite amount of time. It is an implementation of the boundary
conditions from "(Dobson)"_#Dobson, and also uses numerical lattice reduction
conditions from "(Dobson)"_#Dobson, and also uses numerical lattice reduction
as was proposed by "(Hunt)"_#Hunt. The lattice reduction algorithm is from
as was proposed by "(Hunt)"_#Hunt. The lattice reduction algorithm is from
"(Semaev)"_Semaev. The
package
is intended for simulations of
"(Semaev)"_Semaev. The
fix
is intended for simulations of
homogeneous flows, and integrates the SLLOD equations of motion,
homogeneous flows, and integrates the SLLOD equations of motion,
originally proposed by Hoover and Ladd (see "(Evans and Morriss)"_#Sllod).
originally proposed by Hoover and Ladd (see "(Evans and Morriss)"_#Sllod).
Additional detail about this implementation can be found in
"(Nicholson and Rutledge)"_#Nicholson.
The applied flow field is set by the {eps} keyword. The values {edot_x}
The applied flow field is set by the {eps} keyword. The values {edot_x}
and {edot_y} correspond to the strain rates in the xx and yy directions.
and {edot_y} correspond to the strain rates in the xx and yy directions.
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@@ -204,3 +206,6 @@ The reason for this change is given in "fix nvt/sllod"_fix_nvt_sllod.html.
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@@ -204,3 +206,6 @@ The reason for this change is given in "fix nvt/sllod"_fix_nvt_sllod.html.
:link(Sllod)
:link(Sllod)
[(Evans and Morriss)] Evans and Morriss, Phys Rev A, 30, 1528 (1984).
[(Evans and Morriss)] Evans and Morriss, Phys Rev A, 30, 1528 (1984).
:link(Nicholson)
[(Nicholson and Rutledge)] Nicholson and Rutledge, J Chem Phys, 145, 244903 (2016).
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