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LAMMPS
Commits
9e37ea16
Commit
9e37ea16
authored
Aug 22, 2018
by
Axel Kohlmeyer
Browse files
fix some speelink ehrrors
parent
c8ac88dd
Changes
5
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doc/src/Commands_parse.txt
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9e37ea16
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@@ -14,7 +14,7 @@ LAMMPS commands are case sensitive. Command names are lower-case, as
are specified command arguments. Upper case letters may be used in
file names or user-chosen ID strings.
Here are 6 rul
s
e for how each line in the input script is parsed by
Here are 6 rule
s
for how each line in the input script is parsed by
LAMMPS:
(1) If the last printable character on the line is a "&" character,
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@@ -71,7 +71,7 @@ floating-point value. The format string is used to output the result
of the variable expression evaluation. If a format string is not
specified a high-precision "%.20g" is used as the default.
This can be useful for formatting print output to a desired precion:
This can be useful for formatting print output to a desired preci
si
on:
print "Final energy per atom: $(pe/atoms:%10.3f) eV/atom" :pre
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doc/src/pair_python.txt
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9e37ea16
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@@ -98,7 +98,7 @@ verify, that the potential definition in the python class and in the
LAMMPS input match.
Here is an example for a single type Lennard-Jones potential class
{LJCutMelt} in reduc
t
ed units, which defines an atom type {lj} for
{LJCutMelt} in reduced units, which defines an atom type {lj} for
which the parameters epsilon and sigma are both 1.0:
class LJCutMelt(LAMMPSPairPotential):
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doc/src/pair_style.txt
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9e37ea16
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@@ -93,7 +93,7 @@ There are also additional accelerated pair styles (not listed here)
included in the LAMMPS distribution for faster performance on CPUs,
GPUs, and KNLs. The individual style names on the "Commands
pair"_Commands_pair.html doc page are followed by one or more of
(g,i,k,o,t) to indicate which acce
r
lerated styles exist.
(g,i,k,o,t) to indicate which accelerated styles exist.
"pair_style none"_pair_none.html - turn off pairwise interactions
"pair_style hybrid"_pair_hybrid.html - multiple styles of pairwise interactions
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doc/src/reset_ids.txt
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9e37ea16
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@@ -23,7 +23,7 @@ for bond, angle, dihedral, improper topology data. This will
create a set of IDs that are numbered contiguously from 1 to N
for a N atoms system.
This can be useful to do after perfoming a "delete_atoms" command for
This can be useful to do after perfo
r
ming a "delete_atoms" command for
a molecular system. The delete_atoms compress yes option will not
perform this operation due to the existence of bond topology. It can
also be useful to do after any simulation which has lost atoms,
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doc/src/run_style.txt
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9e37ea16
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@@ -318,7 +318,7 @@ bond forces = level 1 (innermost loop)
angle forces = same level as bond forces
dihedral forces = same level as angle forces
improper forces = same level as dihedral forces
pair forces = leve
n
N (outermost level)
pair forces = leve
l
N (outermost level)
kspace forces = same level as pair forces
inner, middle, outer forces = no default :ul
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