spelling
This commit is contained in:
@ -26,9 +26,9 @@ grid.
|
|||||||
|
|
||||||
More specifically, a grid point is defined for each cell (by default
|
More specifically, a grid point is defined for each cell (by default
|
||||||
the center point), and a processor owns a grid cell if its point is
|
the center point), and a processor owns a grid cell if its point is
|
||||||
within the processor's spatial subdomain. The union of processor
|
within the processor's spatial sub-domain. The union of processor
|
||||||
subdomains is the global simulation box. If a grid point is on the
|
sub-domains is the global simulation box. If a grid point is on the
|
||||||
boundary of two subdomains, the lower processor owns the grid cell. A
|
boundary of two sub-domains, the lower processor owns the grid cell. A
|
||||||
processor may also store copies of ghost cells which surround its
|
processor may also store copies of ghost cells which surround its
|
||||||
owned cells.
|
owned cells.
|
||||||
|
|
||||||
@ -60,7 +60,7 @@ y-dimension. It is even possible to define a 1x1x1 3d grid, though it
|
|||||||
may be inefficient to use it in a computational sense.
|
may be inefficient to use it in a computational sense.
|
||||||
|
|
||||||
Note that the choice of grid size is independent of the number of
|
Note that the choice of grid size is independent of the number of
|
||||||
processors or their layout in a grid of processor subdomains which
|
processors or their layout in a grid of processor sub-domains which
|
||||||
overlays the simulations domain. Depending on the distributed grid
|
overlays the simulations domain. Depending on the distributed grid
|
||||||
size, a single processor may own many 1000s or no grid cells.
|
size, a single processor may own many 1000s or no grid cells.
|
||||||
|
|
||||||
@ -233,7 +233,7 @@ invoked, because they influence its operation.
|
|||||||
void set_zfactor(double factor);
|
void set_zfactor(double factor);
|
||||||
|
|
||||||
Processors own a grid cell if a point within the grid cell is inside
|
Processors own a grid cell if a point within the grid cell is inside
|
||||||
the processor's subdomain. By default this is the center point of the
|
the processor's sub-domain. By default this is the center point of the
|
||||||
grid cell. The *set_shift_grid()* method can change this. The *shift*
|
grid cell. The *set_shift_grid()* method can change this. The *shift*
|
||||||
argument is a value from 0.0 to 1.0 (inclusive) which is the offset of
|
argument is a value from 0.0 to 1.0 (inclusive) which is the offset of
|
||||||
the point within the grid cell in each dimension. The default is 0.5
|
the point within the grid cell in each dimension. The default is 0.5
|
||||||
@ -243,9 +243,9 @@ typically no need to change the default as it is optimal for
|
|||||||
minimizing the number of ghost cells needed.
|
minimizing the number of ghost cells needed.
|
||||||
|
|
||||||
If a processor maps its particles to grid cells, it needs to allow for
|
If a processor maps its particles to grid cells, it needs to allow for
|
||||||
its particles being outside its subdomain between reneighboring. The
|
its particles being outside its sub-domain between reneighboring. The
|
||||||
*distance* argument of the *set_distance()* method sets the furthest
|
*distance* argument of the *set_distance()* method sets the furthest
|
||||||
distance outside a processor's subdomain which a particle can move.
|
distance outside a processor's sub-domain which a particle can move.
|
||||||
Typically this is half the neighbor skin distance, assuming
|
Typically this is half the neighbor skin distance, assuming
|
||||||
reneighboring is done appropriately. This distance is used in
|
reneighboring is done appropriately. This distance is used in
|
||||||
determining how many ghost cells a processor needs to store to enable
|
determining how many ghost cells a processor needs to store to enable
|
||||||
@ -293,7 +293,7 @@ to the Grid class via the *set_zfactor()* method (*set_yfactor()* for
|
|||||||
2d grids). The Grid class will then assign ownership of the 1/3 of
|
2d grids). The Grid class will then assign ownership of the 1/3 of
|
||||||
grid cells that overlay the simulation box to the processors which
|
grid cells that overlay the simulation box to the processors which
|
||||||
also overlay the simulation box. The remaining 2/3 of the grid cells
|
also overlay the simulation box. The remaining 2/3 of the grid cells
|
||||||
are assigned to processors whose subdomains are adjacent to the upper
|
are assigned to processors whose sub-domains are adjacent to the upper
|
||||||
z boundary of the simulation box.
|
z boundary of the simulation box.
|
||||||
|
|
||||||
----------
|
----------
|
||||||
@ -547,13 +547,13 @@ Grid class remap methods for load balancing
|
|||||||
The following methods are used when a load-balancing operation,
|
The following methods are used when a load-balancing operation,
|
||||||
triggered by the :doc:`balance <balance>` or :doc:`fix balance
|
triggered by the :doc:`balance <balance>` or :doc:`fix balance
|
||||||
<fix_balance>` commands, changes the partitioning of the simulation
|
<fix_balance>` commands, changes the partitioning of the simulation
|
||||||
domain into processor subdomains.
|
domain into processor sub-domains.
|
||||||
|
|
||||||
In order to work with load-balancing, any style command (compute, fix,
|
In order to work with load-balancing, any style command (compute, fix,
|
||||||
pair, or kspace style) which allocates a grid and stores per-grid data
|
pair, or kspace style) which allocates a grid and stores per-grid data
|
||||||
should define a *reset_grid()* method; it takes no arguments. It will
|
should define a *reset_grid()* method; it takes no arguments. It will
|
||||||
be called by the two balance commands after they have reset processor
|
be called by the two balance commands after they have reset processor
|
||||||
subdomains and migrated atoms (particles) to new owning processors.
|
sub-domains and migrated atoms (particles) to new owning processors.
|
||||||
The *reset_grid()* method will typically perform some or all of the
|
The *reset_grid()* method will typically perform some or all of the
|
||||||
following operations. See the src/fix_ave_grid.cpp and
|
following operations. See the src/fix_ave_grid.cpp and
|
||||||
src/EXTRA_FIX/fix_ttm_grid.cpp files for examples of *reset_grid()*
|
src/EXTRA_FIX/fix_ttm_grid.cpp files for examples of *reset_grid()*
|
||||||
@ -562,7 +562,7 @@ functions.
|
|||||||
|
|
||||||
First, the *reset_grid()* method can instantiate new grid(s) of the
|
First, the *reset_grid()* method can instantiate new grid(s) of the
|
||||||
same global size, then call *setup_grid()* to partition them via the
|
same global size, then call *setup_grid()* to partition them via the
|
||||||
new processor subdomains. At this point, it can invoke the
|
new processor sub-domains. At this point, it can invoke the
|
||||||
*identical()* method which compares the owned and ghost grid cell
|
*identical()* method which compares the owned and ghost grid cell
|
||||||
index bounds between two grids, the old grid passed as a pointer
|
index bounds between two grids, the old grid passed as a pointer
|
||||||
argument, and the new grid whose *identical()* method is being called.
|
argument, and the new grid whose *identical()* method is being called.
|
||||||
@ -577,7 +577,7 @@ the command can simply delete the old data array(s) and grid
|
|||||||
instance(s). It can then return.
|
instance(s). It can then return.
|
||||||
|
|
||||||
If the grid data does need to persist, then the data for each grid
|
If the grid data does need to persist, then the data for each grid
|
||||||
needs to be "remapped" from the old grld partitioning to the new grid
|
needs to be "remapped" from the old grid partitioning to the new grid
|
||||||
partitioning. The *setup_remap()* and *remap()* methods are used for
|
partitioning. The *setup_remap()* and *remap()* methods are used for
|
||||||
that purpose.
|
that purpose.
|
||||||
|
|
||||||
|
|||||||
@ -66,7 +66,7 @@ Syntax
|
|||||||
* style = *atom* or *atom/adios* or *atom/gz* or *atom/zstd* or *atom/mpiio* or *cfg* or *cfg/gz* or *cfg/zstd* or *cfg/mpiio* or *cfg/uef* or *custom* or *custom/gz* or *custom/zstd* or *custom/mpiio* or *custom/adios* or *dcd* or *grid* or *grid/vtk* or *h5md* or *image* or *local* or *local/gz* or *local/zstd* or *molfile* or *movie* or *netcdf* or *netcdf/mpiio* or *vtk* or *xtc* or *xyz* or *xyz/gz* or *xyz/zstd* or *xyz/mpiio* or *yaml*
|
* style = *atom* or *atom/adios* or *atom/gz* or *atom/zstd* or *atom/mpiio* or *cfg* or *cfg/gz* or *cfg/zstd* or *cfg/mpiio* or *cfg/uef* or *custom* or *custom/gz* or *custom/zstd* or *custom/mpiio* or *custom/adios* or *dcd* or *grid* or *grid/vtk* or *h5md* or *image* or *local* or *local/gz* or *local/zstd* or *molfile* or *movie* or *netcdf* or *netcdf/mpiio* or *vtk* or *xtc* or *xyz* or *xyz/gz* or *xyz/zstd* or *xyz/mpiio* or *yaml*
|
||||||
* N = dump on timesteps which are multiples of N
|
* N = dump on timesteps which are multiples of N
|
||||||
* file = name of file to write dump info to
|
* file = name of file to write dump info to
|
||||||
* attribute1,filel2,... = list of attributes for a particular style
|
* attribute1,attribute2,... = list of attributes for a particular style
|
||||||
|
|
||||||
.. parsed-literal::
|
.. parsed-literal::
|
||||||
|
|
||||||
|
|||||||
@ -412,6 +412,7 @@ cdennist
|
|||||||
cdof
|
cdof
|
||||||
ceil
|
ceil
|
||||||
Ceil
|
Ceil
|
||||||
|
cekk
|
||||||
centerline
|
centerline
|
||||||
centro
|
centro
|
||||||
centroid
|
centroid
|
||||||
@ -470,6 +471,7 @@ Cij
|
|||||||
cis
|
cis
|
||||||
civ
|
civ
|
||||||
CKD
|
CKD
|
||||||
|
ckk
|
||||||
Clang
|
Clang
|
||||||
clearstore
|
clearstore
|
||||||
Cleary
|
Cleary
|
||||||
@ -559,6 +561,8 @@ Coulombic
|
|||||||
Coulombics
|
Coulombics
|
||||||
counterion
|
counterion
|
||||||
counterions
|
counterions
|
||||||
|
CountI
|
||||||
|
CountN
|
||||||
Courant
|
Courant
|
||||||
covalent
|
covalent
|
||||||
covalently
|
covalently
|
||||||
@ -1240,6 +1244,7 @@ Glosli
|
|||||||
Glotzer
|
Glotzer
|
||||||
gmail
|
gmail
|
||||||
gmake
|
gmake
|
||||||
|
gmap
|
||||||
gmask
|
gmask
|
||||||
Gmask
|
Gmask
|
||||||
GMock
|
GMock
|
||||||
@ -1439,6 +1444,7 @@ ieni
|
|||||||
ifdefs
|
ifdefs
|
||||||
iff
|
iff
|
||||||
ifort
|
ifort
|
||||||
|
ihi
|
||||||
Ihle
|
Ihle
|
||||||
ij
|
ij
|
||||||
ijk
|
ijk
|
||||||
@ -1449,6 +1455,7 @@ ilabel
|
|||||||
Ilie
|
Ilie
|
||||||
ilmenau
|
ilmenau
|
||||||
Ilmenau
|
Ilmenau
|
||||||
|
ilo
|
||||||
ilp
|
ilp
|
||||||
Ilya
|
Ilya
|
||||||
im
|
im
|
||||||
@ -1550,6 +1557,8 @@ Iw
|
|||||||
Iwers
|
Iwers
|
||||||
iwyu
|
iwyu
|
||||||
ixcm
|
ixcm
|
||||||
|
ixhi
|
||||||
|
ixlo
|
||||||
ixx
|
ixx
|
||||||
Ixx
|
Ixx
|
||||||
ixy
|
ixy
|
||||||
@ -2388,6 +2397,7 @@ nlayers
|
|||||||
nlen
|
nlen
|
||||||
nlines
|
nlines
|
||||||
Nlines
|
Nlines
|
||||||
|
nlist
|
||||||
nlo
|
nlo
|
||||||
nlocal
|
nlocal
|
||||||
Nlocal
|
Nlocal
|
||||||
@ -2517,11 +2527,15 @@ Nwait
|
|||||||
nwchem
|
nwchem
|
||||||
nx
|
nx
|
||||||
Nx
|
Nx
|
||||||
|
nxlo
|
||||||
nxnodes
|
nxnodes
|
||||||
|
Nxyz
|
||||||
ny
|
ny
|
||||||
Ny
|
Ny
|
||||||
|
nylo
|
||||||
nz
|
nz
|
||||||
Nz
|
Nz
|
||||||
|
nzlo
|
||||||
ocl
|
ocl
|
||||||
octahedral
|
octahedral
|
||||||
octants
|
octants
|
||||||
@ -2590,6 +2604,8 @@ overlayed
|
|||||||
Ovito
|
Ovito
|
||||||
oxdna
|
oxdna
|
||||||
oxDNA
|
oxDNA
|
||||||
|
oxhi
|
||||||
|
oxlo
|
||||||
oxrna
|
oxrna
|
||||||
oxRNA
|
oxRNA
|
||||||
packings
|
packings
|
||||||
@ -2657,6 +2673,7 @@ Peng
|
|||||||
peptide
|
peptide
|
||||||
peratom
|
peratom
|
||||||
Pergamon
|
Pergamon
|
||||||
|
pergrid
|
||||||
peri
|
peri
|
||||||
peridynamic
|
peridynamic
|
||||||
Peridynamic
|
Peridynamic
|
||||||
@ -3370,6 +3387,8 @@ Sugaku
|
|||||||
Suhai
|
Suhai
|
||||||
Sukumaran
|
Sukumaran
|
||||||
Sulc
|
Sulc
|
||||||
|
SumI
|
||||||
|
SumN
|
||||||
sumsq
|
sumsq
|
||||||
Sunderland
|
Sunderland
|
||||||
supercell
|
supercell
|
||||||
|
|||||||
Reference in New Issue
Block a user