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fully integrate third_order command into manual and READMEs

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This commit is contained in:
Axel Kohlmeyer
2019-09-23 11:47:19 -04:00
parent 804a49c3ea
commit 2da6083df2
5 changed files with 11 additions and 6 deletions
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1
doc/src/Commands_all.txt
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@ -124,6 +124,7 @@ An alphabetic list of all general LAMMPS commands.
"thermo"_thermo.html,
"thermo_modify"_thermo_modify.html,
"thermo_style"_thermo_style.html,
"third_order"_third_order.html,
"timer"_timer.html,
"timestep"_timestep.html,
"uncompute"_uncompute.html,

8
doc/src/Packages_details.txt
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@ -1746,11 +1746,12 @@ USER-PHONON package :link(PKG-USER-PHONON),h4
A "fix phonon"_fix_phonon.html command that calculates dynamical
matrices, which can then be used to compute phonon dispersion
relations, directly from molecular dynamics simulations.
And a "dynamical_matrix" command to compute the dynamical matrix
from finite differences.
And a "dynamical_matrix"_dynamical_matrix.html as well as a
"third_order"_third_order.html command to compute the dynamical matrix
and third order tensor from finite differences.
[Authors:] Ling-Ti Kong (Shanghai Jiao Tong University) for "fix phonon"
and Charlie Sievers (UC Davis) for "dynamical_matrix"
and Charlie Sievers (UC Davis) for "dynamical_matrix" and "third_order"
[Supporting info:]
@ -1759,6 +1760,7 @@ src/USER-PHONON: filenames -> commands
src/USER-PHONON/README
"fix phonon"_fix_phonon.html
"dynamical_matrix"_dynamical_matrix.html
"third_order"_third_order.html
examples/USER/phonon :ul
:line

1
doc/src/commands_list.txt
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@ -108,6 +108,7 @@ Commands :h1
thermo
thermo_modify
thermo_style
third_order
timer
timestep
uncompute

1
doc/src/lammps.book
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@ -217,6 +217,7 @@ temper_npt.html
thermo.html
thermo_modify.html
thermo_style.html
third_order.html
timer.html
timestep.html
uncompute.html

6
src/USER-PHONON/README
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@ -3,11 +3,11 @@ matrices from finite temperature MD simulations, which can then be
used to compute phonon dispersion relations, directly from molecular
dynamics simulations.
It also contains a command to compute the dynamical matrix at
pre-optimized positions through finite differences.
It also contains commands to compute the dynamical matrix and third
order tensor at pre-optimized positions through finite differences.
See the doc page for the fix phonon command or the dynamical_matrix
command for detailed usage instructions.
or third_order commands for detailed usage instructions.
Use of this package requires building LAMMPS with FFT suppport, as
described in doc/Section_start.html.