Fixed remaining discrepancies between lists of keywords and doc of them

This commit is contained in:
Karl Hammond
2022-10-13 23:00:13 -05:00
parent edcdedc574
commit e3c78b70ed
9 changed files with 20 additions and 14 deletions

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@ -17,7 +17,7 @@ Syntax
.. parsed-literal::
*replace* arg = name of per-atom variable
*refresh* arg = name of per-atom variable
Examples
""""""""

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@ -13,7 +13,7 @@ Syntax
* ID, group-ID are documented in :doc:`compute <compute>` command
* voronoi/atom = style name of this compute command
* zero or more keyword/value pairs may be appended
* keyword = *only_group* or *surface* or *radius* or *edge_histo* or *edge_threshold* or *face_threshold* or *neighbors* or *peratom*
* keyword = *only_group* or *occupation* or *surface* or *radius* or *edge_histo* or *edge_threshold* or *face_threshold* or *neighbors* or *peratom*
.. parsed-literal::

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@ -28,7 +28,7 @@ Syntax
region-ID = create atoms within this region, use NULL for entire simulation box
* zero or more keyword/value pairs may be appended
* keyword = *mol* or *basis* or *ratio* or *subset* or *remap* or *var* or *set* or *rotate* or *overlap* or *maxtry* or *units*
* keyword = *mol* or *basis* or *ratio* or *subset* or *remap* or *var* or *set* or *radscale* or *meshmode* or *rotate* or *overlap* or *maxtry* or *units*
.. parsed-literal::

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@ -26,6 +26,13 @@ Syntax
* zero or more keywords may be appended
* keyword = *any* or *undo* or *remove* or *special*
.. parsed-literal::
*any* arg = none = turn off interactions if any atoms are in the group (or on if *undo* is also used)
*undo* arg = none = turn specified bonds on instead of off
*remove* arg = permanently remove bonds that have been turned off
*special* arg = recompute pairwise 1-2, 1-3, and 1-4 lists
Examples
""""""""
@ -101,13 +108,13 @@ Several keywords can be appended to the argument list to alter the
default behaviors.
The *any* keyword changes the requirement that all atoms in the bond
(angle, etc) must be in the specified group in order to turn off the
(angle, etc.) must be in the specified group in order to turn off the
interaction. Instead, if any of the atoms in the interaction are in
the specified group, it will be turned off (or on if the *undo*
keyword is used).
The *undo* keyword inverts the delete_bonds command so that the
specified bonds, angles, etc are turned on if they are currently
specified bonds, angles, etc. are turned on if they are currently
turned off. This means a negative value is toggled to positive. For
example, for style *angle*, if *type* is specified as 2, then all
angles with current type = :math:`-2` are reset to type = :math:`2`.

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@ -11,7 +11,7 @@ Syntax
kspace_modify keyword value ...
* one or more keyword/value pairs may be listed
* keyword = *collective* or *compute* or *cutoff/adjust* or *diff* or *disp/auto* or *fftbench* or *force/disp/kspace* or *force/disp/real* or *force* or *gewald/disp* or *gewald* or *kmax/ewald* or *mesh* or *minorder* or *mix/disp* or *order/disp* or *order* or *overlap* or *scafacos* or *slab* or *splittol*
* keyword = *collective* or *compute* or *cutoff/adjust* or *diff* or *disp/auto* or *fftbench* or *force/disp/kspace* or *force/disp/real* or *force* or *gewald/disp* or *gewald* or *kmax/ewald* or *mesh* or *minorder* or *mix/disp* or *order/disp* or *order* or *overlap* or *scafacos* or *slab* or *splittol* or *wire*
.. parsed-literal::

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@ -18,7 +18,7 @@ Syntax
* compute-ID = ID of the compute used for event detection
* random_seed = random # seed (positive integer)
* zero or more keyword/value pairs may be appended
* keyword = *min* or *temp* or *vel*
* keyword = *min* or *temp* or *vel* or *time*
.. parsed-literal::

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@ -18,18 +18,17 @@ Syntax
*grid* arg = gstyle params ...
gstyle = *onelevel* or *twolevel* or *numa* or *custom*
onelevel params = none
twolevel params = Nc Cx Cy Cz
*onelevel* params = none
*twolevel* params = Nc Cx Cy Cz
Nc = number of cores per node
Cx,Cy,Cz = # of cores in each dimension of 3d sub-grid assigned to each node
numa params = none
custom params = infile
*numa* params = none
*custom* params = infile
infile = file containing grid layout
*map* arg = *cart* or *cart/reorder* or *xyz* or *xzy* or *yxz* or *yzx* or *zxy* or *zyx*
cart = use MPI_Cart() methods to map processors to 3d grid with reorder = 0
cart/reorder = use MPI_Cart() methods to map processors to 3d grid with reorder = 1
xyz,xzy,yxz,yzx,zxy,zyx = map processors to 3d grid in IJK ordering
*numa* arg = none
*part* args = Psend Precv cstyle
Psend = partition # (1 to Np) which will send its processor layout
Precv = partition # (1 to Np) which will recv the processor layout

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@ -18,7 +18,7 @@ Syntax
* tmax = reciprocal of lowest expected pre-exponential factor (time units)
* compute-ID = ID of the compute used for event detection
* zero or more keyword/value pairs may be appended
* keyword = *min* or *neb* or *min_style* or *neb_style* or *neb_log*
* keyword = *min* or *neb* or *neb_style* or *neb_step* or *neb_log*
.. parsed-literal::

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@ -33,7 +33,7 @@ Syntax
*angular* = zero the angular momentum
* zero or more keyword/value pairs may be appended
* keyword = *dist* or *sum* or *mom* or *rot* or *temp* or *bias* or *loop* or *units*
* keyword = *dist* or *sum* or *mom* or *rot* or *temp* or *bias* or *loop* or *rigid* or *units*
.. parsed-literal::