forked from lijiext/lammps
Commit JT 073019
- modified the false_positive file to correct errors - improved the doc page of fix nve/spin
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@ -27,10 +27,16 @@ fix 1 all nve/spin lattice no :pre
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Perform a symplectic integration for the spin or spin-lattice system.
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The {lattice} keyword defines if the spins are integrated on a lattice
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of fixed atoms (lattice = no), or if atoms are moving (lattice = yes).
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The {lattice} keyword defines whether the spins are integrated on a
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fixed or moving lattice.
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By default (lattice = yes), a spin-lattice integration is performed.
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If {lattice}=yes, the equations of motion of the atoms are integrated,
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and a combined spin and lattice calculation is performed.
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This is the default option.
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If {lattice}=no, the equations of motion of the atoms are not
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integrated. The lattice degrees of freedom are frozen, and a
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spin dynamics only calculation is performed.
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The {nve/spin} fix applies a Suzuki-Trotter decomposition to
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the equations of motion of the spin lattice system, following the scheme:
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@ -63,7 +69,8 @@ instead of "array" is also valid.
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"atom_style spin"_atom_style.html, "fix nve"_fix_nve.html
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[Default:] none
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[Default:] By default (lattice = yes), a spin-lattice integration is
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performed.
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:line
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@ -110,8 +110,7 @@ explanation.
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[Default:]
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The option defaults are dmax = 0.1, line = quadratic and norm =
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euclidean.
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The option defaults are dmax = 0.1, line = quadratic and norm = euclidean.
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For the {spin}, {spin_oso_cg} and {spin_oso_lbfgs} styles, the
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option defaults are alpha_damp = 1.0, discrete_factor = 10.0,
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@ -273,6 +273,7 @@ Broadwell
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Broglie
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brownian
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brownw
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Broyden
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Bryantsev
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Btarget
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btype
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@ -981,6 +982,7 @@ gmask
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Gmask
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gneb
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GNEB
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Goldfarb
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googlemail
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Gordan
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GPa
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@ -1395,6 +1397,7 @@ Laupretre
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lavenderblush
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lawngreen
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lB
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lbfgs
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lbl
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LBtype
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lcbop
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@ -2030,6 +2033,7 @@ Orsi
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ortho
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orthonormal
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orthorhombic
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oso
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ot
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Otype
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Ouldridge
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@ -2493,6 +2497,7 @@ setvel
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sfftw
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Sg
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Shan
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Shanno
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shapex
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shapey
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shapez
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