merged in current master

This commit is contained in:
Steve Plimpton
2020-01-13 10:34:31 -07:00
parent bf20d72fc3
commit e8d11931ec
2720 changed files with 221313 additions and 28584 deletions

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@ -0,0 +1,57 @@
from pygments.lexer import RegexLexer, words
from pygments.token import *
LAMMPS_COMMANDS = ("angle_coeff", "angle_style", "atom_modify", "atom_style",
"balance", "bond_coeff", "bond_style", "bond_write", "boundary", "box",
"change_box", "clear", "comm_modify", "comm_style", "compute",
"compute_modify", "create_atoms", "create_bonds", "create_box", "delete_atoms",
"delete_bonds", "dielectric", "dihedral_coeff", "dihedral_style", "dimension",
"displace_atoms", "dump", "dump_modify", "dynamical_matrix", "echo", "fix",
"fix_modify", "group", "group2ndx", "hyper", "if", "improper_coeff",
"improper_style", "include", "info", "jump", "kim_init", "kim_interactions",
"kim_param", "kim_query", "kspace_modify", "kspace_style", "label", "lattice",
"log", "mass", "message", "minimize", "min_modify", "min_style", "molecule",
"ndx2group", "neb", "neb/spin", "neighbor", "neigh_modify", "newton", "next",
"package", "pair_coeff", "pair_modify", "pair_style", "pair_write",
"partition", "prd", "print", "processors", "python", "quit", "read_data",
"read_dump", "read_restart", "region", "replicate", "rerun", "reset_ids",
"reset_timestep", "restart", "run", "run_style", "server", "set", "shell",
"special_bonds", "suffix", "tad", "temper", "temper/grem", "temper/npt",
"thermo", "thermo_modify", "thermo_style", "then", "third_order", "timer", "timestep",
"uncompute", "undump", "unfix", "units", "variable", "velocity", "write_coeff",
"write_data", "write_dump", "write_restart")
class LAMMPSLexer(RegexLexer):
name = 'LAMMPS'
tokens = {
'root': [
(words(LAMMPS_COMMANDS, suffix=r'\b', prefix=r'^'), Keyword),
(r'#.*?\n', Comment),
('"', String, 'string'),
('\'', String, 'single_quote_string'),
(r'[0-9]+(\.[0-9]+)?([eE]\-?[0-9]+)?', Number),
('\$?\(', Name.Variable, 'expression'),
('\$\{', Name.Variable, 'variable'),
(r'[\w_\.\[\]]+', Name),
(r'\$[\w_]+', Name.Variable),
(r'\s+', Whitespace),
(r'[\+\-\*\/&=<>]', Operator),
],
'variable' : [
('[^\}]+', Name.Variable),
('\}', Name.Variable, '#pop'),
],
'string' : [
('[^"]+', String),
('"', String, '#pop'),
],
'single_quote_string' : [
('[^\']+', String),
('\'', String, '#pop'),
],
'expression' : [
('[^\(\)]+', Name.Variable),
('\(', Name.Variable, 'expression'),
('\)', Name.Variable, '#pop'),
]
}

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@ -20,6 +20,7 @@ import os
# add these directories to sys.path here. If the directory is relative to the
# documentation root, use os.path.abspath to make it absolute, like shown here.
#sys.path.insert(0, os.path.abspath('.'))
sys.path.append(os.path.join(os.path.dirname(__file__), '../../src/_ext'))
# -- General configuration ------------------------------------------------
@ -31,6 +32,9 @@ import os
# ones.
extensions = [
'sphinx.ext.mathjax',
'sphinx.ext.imgmath',
'sphinx.ext.autodoc',
'table_from_list',
]
# 2017-12-07: commented out, since this package is broken with Sphinx 16.x
# yet we can no longer use Sphinx 15.x, since that breaks with
@ -201,6 +205,11 @@ htmlhelp_basename = 'LAMMPSdoc'
html_add_permalinks = ''
if 'epub' in sys.argv:
html_math_renderer = 'imgmath'
else:
html_math_renderer = 'mathjax'
# -- Options for LaTeX output ---------------------------------------------
latex_elements = {
@ -312,3 +321,11 @@ if spelling_spec:
spelling_lang='en_US'
spelling_word_list_filename='false_positives.txt'
sys.path.append(os.path.join(os.path.dirname(__file__), '.'))
import LAMMPSLexer
from sphinx.highlighting import lexers
lexers['LAMMPS'] = LAMMPSLexer.LAMMPSLexer(startinline=True)
sys.path.append(os.path.join(os.path.dirname(__file__), '../../../python'))

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@ -71,6 +71,7 @@ AlO
Alonso
amap
Amatrix
AMD
amino
Amirjalayer
Amit
@ -108,6 +109,7 @@ Archlinux
arcsin
arg
args
arrhenius
Arun
arXiv
asin
@ -162,6 +164,7 @@ azimuthal
Azuri
ba
Babadi
Babaei
backcolor
Baczewski
Bagi
@ -210,6 +213,7 @@ Berne
Bertotti
Bessarab
Beutler
Bext
bgq
Bh
Biersack
@ -275,10 +279,12 @@ Broadwell
Broglie
brownian
brownw
Broyden
Bryantsev
Btarget
btype
buckPlusAttr
builtin
Bulatov
Bureekaew
burlywood
@ -305,6 +311,7 @@ Cavium
Cawkwell
cbecker
ccache
ccachepiecewise
ccmake
ccNspecies
CCu
@ -408,6 +415,8 @@ computable
compute
concat
cond
conda
Conda
Condens
conf
config
@ -516,6 +525,7 @@ Dasgupta
dashpot
dat
datafile
datatype
datums
Davidchack
Daw
@ -622,6 +632,7 @@ Doye
dpd
DPD
dpdTheta
dphi
DPhil
dr
dR
@ -705,6 +716,7 @@ Eike
eim
eimp
Eindhoven
Eisenforschung
Ejtehadi
El
elaplong
@ -778,6 +790,7 @@ erotate
Ertas
ervel
Espanol
eskm
esu
esub
esw
@ -922,6 +935,7 @@ funcs
functionalities
functionals
funroll
fuer
fx
fy
fz
@ -986,6 +1000,7 @@ gmask
Gmask
gneb
GNEB
Goldfarb
googlemail
Gordan
GPa
@ -1028,6 +1043,7 @@ Gunsteren
Gunzenmuller
Guo
gw
gyromagnetic
gz
gzipped
Haak
@ -1047,6 +1063,7 @@ Haswell
Haugk
Hayoun
Hayre
hbar
hbcut
hbn
hbnewflag
@ -1166,6 +1183,7 @@ initio
initializations
InP
inregion
Institut
integrators
Integrators
intel
@ -1242,6 +1260,7 @@ Jacobsen
jagreat
Jalalvand
james
Janssen
Janssens
Jaramillo
Jarzynski
@ -1325,6 +1344,7 @@ Khersonskii
Khrapak
Khvostov
Ki
Kikugawa
kim
kJ
kk
@ -1386,6 +1406,7 @@ Lammps
LAMMPS
lammpsplot
Lamoureux
Lande
Landron
langevin
Langevin
@ -1403,6 +1424,7 @@ Laupretre
lavenderblush
lawngreen
lB
lbfgs
lbl
LBtype
lcbop
@ -1503,6 +1525,7 @@ logfreq
logicals
Lomdahl
Lond
lookup
lookups
Lookups
LoopVar
@ -1532,6 +1555,7 @@ Mackay
Mackrodt
Macromolecules
macroparticle
macOS
Madura
Magda
Magdeburg
@ -1576,6 +1600,8 @@ Materias
mathbf
matlab
matplotlib
Matsubara
Mattice
Mattox
Mattson
maxangle
@ -1753,6 +1779,7 @@ mtk
Mtotal
muB
Muccioli
mui
Mukherjee
Mulders
multi
@ -1998,6 +2025,7 @@ Nz
ocl
octahedral
octants
Ohara
ohenrich
ok
Okabe
@ -2028,6 +2056,7 @@ openmp
openmpi
opls
Oppelstrup
optimizations
orangered
organometallic
orientational
@ -2039,6 +2068,7 @@ Orsi
ortho
orthonormal
orthorhombic
oso
ot
Otype
Ouldridge
@ -2049,7 +2079,9 @@ Ouyang
overlayed
Ovito
oxdna
oxrna
oxDNA
oxRNA
padua
Padua
palegoldenrod
@ -2123,6 +2155,7 @@ ph
Phillpot
phiphi
phonon
phonons
phophorous
phosphide
Phs
@ -2136,6 +2169,7 @@ picograms
picosecond
picoseconds
pid
piecewise
Pieniazek
Pieter
pimd
@ -2269,6 +2303,7 @@ qoffload
qopenmp
qoverride
qtb
quadratically
quadrupolar
Quant
quartic
@ -2418,6 +2453,7 @@ Rodrigues
Rohart
Ronchetti
Rosati
Rosenberger
Rossky
rosybrown
rotationally
@ -2478,10 +2514,12 @@ Schulten
Schunk
Schuring
Schwen
screenshots
Scripta
sdk
sdpd
SDPD
se
seagreen
Secor
sectoring
@ -2508,6 +2546,7 @@ setvel
sfftw
Sg
Shan
Shanno
shapex
shapey
shapez
@ -2575,6 +2614,7 @@ Snodin
Sodani
Soderlind
solvated
solvation
Sorensen
soundspeed
Souza
@ -2659,6 +2699,7 @@ Sunderland
superset
supersphere
Supinski
Surblys
surfactants
Suter
Sutmann
@ -2935,6 +2976,7 @@ vectorial
vectorization
Vectorization
vectorized
Vegt
vel
Verlag
verlet
@ -3134,3 +3176,4 @@ zx
zy
Zybin
zz
Zm