made keyword lists and descriptions consistent for all fix styles

This commit is contained in:
Karl Hammond
2022-10-13 19:20:08 -05:00
parent 70fd789b4c
commit edcdedc574
13 changed files with 24 additions and 14 deletions

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@ -40,9 +40,9 @@ Syntax
*gamma_t_eigen* values = *gt1* and *gt2* and *gt3* for *brownian/asphere*
*gt1*, *gt2*, and *gt3* = diagonal entries of body frame translational friction tensor
*gamma_t* values = *gt* for *brownian* and *brownian/sphere*
*gt* = magnitude of the (isotropic) translational friction tensor
*gt* = magnitude of the (isotropic) translational friction tensor
*rotation_temp* values = *T* for *brownian/sphere* and *brownian/asphere*
*T* = rotation temperature, which can be different then *temp* when out of equilibrium
*T* = rotation temperature, which can be different then *temp* when out of equilibrium
*planar_rotation* values = none (constrains rotational diffusion to be in xy plane if in 3D)
Examples

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@ -13,7 +13,7 @@ Syntax
* ID, group-ID are documented in :doc:`fix <fix>` command
* colvars = style name of this fix command
* configfile = the configuration file for the colvars module
* keyword = *input* or *output* or *seed* or *tstat*
* keyword = *input* or *output* or *seed* or *unwrap* or *tstat*
.. parsed-literal::

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@ -17,7 +17,7 @@ Syntax
* M = insert a single atom or molecule every M steps
* seed = random # seed (positive integer)
* one or more keyword/value pairs may be appended to args
* keyword = *region* or *id* or *global* or *local* or *near* or *gaussian* or *attempt* or *rate* or *vx* or *vy* or *vz* or *mol* or *rigid* or *shake* or *units*
* keyword = *region* or *id* or *global* or *local* or *near* or *gaussian* or *attempt* or *rate* or *vx* or *vy* or *vz* or *target* or *mol* or *molfrac* or *rigid* or *shake* or *orient* or *units*
.. parsed-literal::

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@ -13,7 +13,7 @@ Syntax
* ID, group-ID are documented in :doc:`fix <fix>` command
* imd = style name of this fix command
* port = port number on which the fix listens for an IMD client
* keyword = *unwrap* or *fscale* or *trate*
* keyword = *unwrap* or *fscale* or *trate* or *nowait*
.. parsed-literal::

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@ -20,7 +20,7 @@ Syntax
* damp = damping parameter (time units)
* seed = random number seed to use for white noise (positive integer)
* zero or more keyword/value pairs may be appended
* keyword = *angmom* or *omega* or *scale* or *tally* or *zero*
* keyword = *angmom* or *gjf* or *omega* or *scale* or *tally* or *zero*
.. parsed-literal::

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@ -16,7 +16,7 @@ Syntax
* viscosity = the fluid viscosity (units of mass/(time\*length)).
* density = the fluid density.
* zero or more keyword/value pairs may be appended
* keyword = *dx* or *dm* or *noise* or *stencil* or *read_restart* or *write_restart* or *zwall_velocity* or *pressurebcx* or *bodyforce* or *D3Q19* or *dumpxdmf* or *dof* or *scaleGamma* or *a0* or *npits* or *wp* or *sw*
* keyword = *dx* or *dm* or *noise* or *stencil* or *read_restart* or *write_restart* or *zwall_velocity* or *pressurebcx* or *bodyforce* or *D3Q19* or *dumpxdmf* or *linearInit* or *dof* or *scaleGamma* or *a0* or *npits* or *wp* or *sw*
.. parsed-literal::
@ -36,6 +36,7 @@ Syntax
N = output the force and torque every N timesteps
file = output file name
timeI = 1 (use simulation time to index xdmf file), 0 (use output frame number to index xdmf file)
*linearInit* values = none = initialize density and velocity using linear interpolation (default is uniform density, no velocities)
*dof* values = dof = specify the number of degrees of freedom for temperature calculation
*scaleGamma* values = type gammaFactor
type = atom type (1-N)

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@ -12,7 +12,7 @@ Syntax
* fix-ID = ID of the fix to modify
* one or more keyword/value pairs may be appended
* keyword = *bodyforces* or *colname* or *dynamic/dof* or *energy* or *press* or *respa* or *temp* or *virial*
* keyword = *bodyforces* or *colname* or *dynamic/dof* or *energy* or *press* or *respa* or *temp* or *virial*
.. parsed-literal::

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@ -13,7 +13,7 @@ Syntax
* ID, group-ID are documented in :doc:`fix <fix>` command
* style_name = *npt/cauchy*
* one or more keyword/value pairs may be appended
* keyword = *temp* or *iso* or *aniso* or *tri* or *x* or *y* or *z* or *xy* or *yz* or *xz* or *couple* or *tchain* or *pchain* or *mtk* or *tloop* or *ploop* or *nreset* or *drag* or *dilate* or *scalexy* or *scaleyz* or *scalexz* or *flip* or *fixedpoint*
* keyword = *temp* or *iso* or *aniso* or *tri* or *x* or *y* or *z* or *xy* or *yz* or *xz* or *couple* or *tchain* or *pchain* or *mtk* or *tloop* or *ploop* or *nreset* or *drag* or *dilate* or *scalexy* or *scaleyz* or *scalexz* or *flip* or *alpha* or *continue* or *fixedpoint*
.. parsed-literal::

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@ -16,7 +16,7 @@ Syntax
* type = atom type to assign to inserted particles (offset for molecule insertion)
* seed = random # seed (positive integer)
* one or more keyword/value pairs may be appended to args
* keyword = *region* or *diam* or *vol* or *rate* or *dens* or *vel* or *mol* or *rigid* or *shake* or *ignore*
* keyword = *region* or *diam* or *id* or *vol* or *rate* or *dens* or *vel* or *mol* or *molfrac* or *rigid* or *shake* or *ignore*
.. parsed-literal::

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@ -80,7 +80,7 @@ Syntax
groupID1, groupID2, ... = list of N group IDs
* zero or more keyword/value pairs may be appended
* keyword = *langevin* or *reinit* or *temp* or *iso* or *aniso* or *x* or *y* or *z* or *couple* or *tparam* or *pchain* or *dilate* or *force* or *torque* or *infile*
* keyword = *langevin* or *reinit* or *temp* or *iso* or *aniso* or *x* or *y* or *z* or *couple* or *tparam* or *pchain* or *dilate* or *force* or *torque* or *infile* or *gravity*
.. parsed-literal::
@ -115,6 +115,11 @@ Syntax
xflag,yflag,zflag = off/on if component of center-of-mass torque is active
*infile* filename
filename = file with per-body values of mass, center-of-mass, moments of inertia
*gravity* values = gravity-ID
gravity-ID = ID of fix gravity command to add gravitational forces
..
FIXME These don't seem to be included in the source code
*mol* value = template-ID
template-ID = ID of molecule template specified in a separate :doc:`molecule <molecule>` command

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@ -17,7 +17,7 @@ Syntax
* pdim = *x* or *y* or *z* = direction of momentum transfer
* Nbin = # of layers in pdim direction (must be even number)
* zero or more keyword/value pairs may be appended
* keyword = *swap* or *target*
* keyword = *swap* or *vtarget*
.. parsed-literal::

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@ -70,7 +70,7 @@ Syntax
cutoff = distance from wall at which wall-particle interaction is cut off (distance units)
* zero or more keyword/value pairs may be appended
* keyword = *units* or *fld*
* keyword = *units* or *fld* or *pbc*
.. parsed-literal::

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@ -14,7 +14,7 @@ Syntax
* wall/piston = style name of this fix command
* face = *zlo*
* zero or more keyword/value pairs may be appended
* keyword = *pos* or *vel* or *ramp* or *units*
* keyword = *pos* or *vel* or *ramp* or *temp* or *units*
.. parsed-literal::
@ -32,6 +32,10 @@ Syntax
*lattice* = the wall position is defined in lattice units
*box* = the wall position is defined in simulation box units
..
FIXME: There are several "undocumented" key words for this fix: *rough*,
*rampNL1*, *rampNL2*, *rampNL3*, *rampNL4*, and *rampNL5*.
Examples
""""""""