Commit JT 073019

- modified the false_positive file to correct errors
- improved the doc page of fix nve/spin
This commit is contained in:
julient31 2019-07-30 13:10:27 -06:00
parent b5621b2c90
commit f4e3186abf
3 changed files with 17 additions and 6 deletions

View File

@ -27,10 +27,16 @@ fix 1 all nve/spin lattice no :pre
Perform a symplectic integration for the spin or spin-lattice system.
The {lattice} keyword defines if the spins are integrated on a lattice
of fixed atoms (lattice = no), or if atoms are moving (lattice = yes).
The {lattice} keyword defines whether the spins are integrated on a
fixed or moving lattice.
By default (lattice = yes), a spin-lattice integration is performed.
If {lattice}=yes, the equations of motion of the atoms are integrated,
and a combined spin and lattice calculation is performed.
This is the default option.
If {lattice}=no, the equations of motion of the atoms are not
integrated. The lattice degrees of freedom are frozen, and a
spin dynamics only calculation is performed.
The {nve/spin} fix applies a Suzuki-Trotter decomposition to
the equations of motion of the spin lattice system, following the scheme:
@ -63,7 +69,8 @@ instead of "array" is also valid.
"atom_style spin"_atom_style.html, "fix nve"_fix_nve.html
[Default:] none
[Default:] By default (lattice = yes), a spin-lattice integration is
performed.
:line

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@ -110,8 +110,7 @@ explanation.
[Default:]
The option defaults are dmax = 0.1, line = quadratic and norm =
euclidean.
The option defaults are dmax = 0.1, line = quadratic and norm = euclidean.
For the {spin}, {spin_oso_cg} and {spin_oso_lbfgs} styles, the
option defaults are alpha_damp = 1.0, discrete_factor = 10.0,

View File

@ -273,6 +273,7 @@ Broadwell
Broglie
brownian
brownw
Broyden
Bryantsev
Btarget
btype
@ -981,6 +982,7 @@ gmask
Gmask
gneb
GNEB
Goldfarb
googlemail
Gordan
GPa
@ -1395,6 +1397,7 @@ Laupretre
lavenderblush
lawngreen
lB
lbfgs
lbl
LBtype
lcbop
@ -2030,6 +2033,7 @@ Orsi
ortho
orthonormal
orthorhombic
oso
ot
Otype
Ouldridge
@ -2493,6 +2497,7 @@ setvel
sfftw
Sg
Shan
Shanno
shapex
shapey
shapez