more spelling and formatting

This commit is contained in:
Axel Kohlmeyer
2024-12-17 10:56:07 -05:00
parent 089e45375f
commit b4a6be2623
2 changed files with 17 additions and 2 deletions

View File

@ -44,7 +44,7 @@ The energy contribution :math:`E_i` for an atom :math:`i` is given by:
where :math:`C_n` is the averaged, geometry-dependent nth-order
dispersion coefficient for atom pair :math:`ij`, :math:`r_{ij}` their
internuclear distance, :math:`s_n` are XC functional-dependent scaling
inter-nuclear distance, :math:`s_n` are XC functional-dependent scaling
factor, and :math:`f_n^{damp}` are damping functions.
.. note::
@ -82,7 +82,7 @@ and depend on the selected damping function.
+------------------+--------------------------------------------------------------------------------+
This style is primarly supposed to be used combined with a
This style is primarily supposed to be used combined with a
machine-learned interatomic potential trained on a DFT dataset (the
selected XC functional should be chosen accordingly) via the
:doc:`pair_style hybrid <pair_hybrid>` command.

View File

@ -25,6 +25,7 @@ Ackland
acks
acolor
acos
acs
Acta
actinide
activationfunctions
@ -255,6 +256,7 @@ bcc
bcolor
bdiam
bdw
Becke
Beckman
Becton
Behler
@ -313,6 +315,7 @@ bitrate
bitrates
Bitzek
Bjerrum
bjm
Bkappa
blabel
Blaise
@ -1342,6 +1345,7 @@ gmres
gname
gneb
GNEB
Goerigk
Goga
Goldfarb
Gompper
@ -1707,6 +1711,7 @@ Jaramillo
Jarzynski
jatempl
javascript
jcc
jcp
jea
jec
@ -1728,6 +1733,7 @@ Jonsson
Jorgensen
jp
jparam
jpclett
jpeg
jpeglib
jpg
@ -1844,6 +1850,7 @@ Krass
Kraus
Kremer
Kress
Krieg
Kronik
ksh
kspace
@ -1916,6 +1923,7 @@ lB
lbfgs
lbl
LBtype
lc
lcbop
ld
lda
@ -2062,6 +2070,7 @@ ly
Lybrand
Lykotrafitis
lyon
lyp
Lysogorskiy
Lyulin
lz
@ -2824,12 +2833,14 @@ pathangle
pathname
pathnames
Patera
Patkowski
Patomtrans
Pattnaik
Pavese
Pavia
Paxton
pbc
pbe
pc
pcg
pchain
@ -2920,6 +2931,7 @@ ploop
PloS
plt
plumedfile
plyp
pmb
pmcmoves
pme
@ -3428,6 +3440,7 @@ Shardlow
shawn
Shen
Shenderova
Sherrill
Shi
Shiga
Shinoda
@ -4113,6 +4126,7 @@ workflow
workflows
Workum
Worley
wpbe
Wriggers
writedata
Wuppertal
@ -4232,6 +4246,7 @@ Zemer
zenodo
Zentrum
Zepeda
zerom
zflag
Zhang
Zhao