made keyword lists and descriptions consistent for all fix styles
This commit is contained in:
@ -40,9 +40,9 @@ Syntax
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*gamma_t_eigen* values = *gt1* and *gt2* and *gt3* for *brownian/asphere*
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*gt1*, *gt2*, and *gt3* = diagonal entries of body frame translational friction tensor
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*gamma_t* values = *gt* for *brownian* and *brownian/sphere*
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*gt* = magnitude of the (isotropic) translational friction tensor
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*gt* = magnitude of the (isotropic) translational friction tensor
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*rotation_temp* values = *T* for *brownian/sphere* and *brownian/asphere*
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*T* = rotation temperature, which can be different then *temp* when out of equilibrium
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*T* = rotation temperature, which can be different then *temp* when out of equilibrium
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*planar_rotation* values = none (constrains rotational diffusion to be in xy plane if in 3D)
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Examples
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@ -13,7 +13,7 @@ Syntax
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* ID, group-ID are documented in :doc:`fix <fix>` command
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* colvars = style name of this fix command
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* configfile = the configuration file for the colvars module
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* keyword = *input* or *output* or *seed* or *tstat*
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* keyword = *input* or *output* or *seed* or *unwrap* or *tstat*
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.. parsed-literal::
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@ -17,7 +17,7 @@ Syntax
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* M = insert a single atom or molecule every M steps
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* seed = random # seed (positive integer)
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* one or more keyword/value pairs may be appended to args
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* 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*
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* 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*
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.. parsed-literal::
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@ -13,7 +13,7 @@ Syntax
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* ID, group-ID are documented in :doc:`fix <fix>` command
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* imd = style name of this fix command
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* port = port number on which the fix listens for an IMD client
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* keyword = *unwrap* or *fscale* or *trate*
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* keyword = *unwrap* or *fscale* or *trate* or *nowait*
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.. parsed-literal::
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@ -20,7 +20,7 @@ Syntax
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* damp = damping parameter (time units)
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* seed = random number seed to use for white noise (positive integer)
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* zero or more keyword/value pairs may be appended
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* keyword = *angmom* or *omega* or *scale* or *tally* or *zero*
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* keyword = *angmom* or *gjf* or *omega* or *scale* or *tally* or *zero*
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.. parsed-literal::
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@ -16,7 +16,7 @@ Syntax
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* viscosity = the fluid viscosity (units of mass/(time\*length)).
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* density = the fluid density.
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* zero or more keyword/value pairs may be appended
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* 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*
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* 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*
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.. parsed-literal::
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@ -36,6 +36,7 @@ Syntax
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N = output the force and torque every N timesteps
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file = output file name
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timeI = 1 (use simulation time to index xdmf file), 0 (use output frame number to index xdmf file)
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*linearInit* values = none = initialize density and velocity using linear interpolation (default is uniform density, no velocities)
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*dof* values = dof = specify the number of degrees of freedom for temperature calculation
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*scaleGamma* values = type gammaFactor
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type = atom type (1-N)
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@ -12,7 +12,7 @@ Syntax
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* fix-ID = ID of the fix to modify
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* one or more keyword/value pairs may be appended
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* keyword = *bodyforces* or *colname* or *dynamic/dof* or *energy* or *press* or *respa* or *temp* or *virial*
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* keyword = *bodyforces* or *colname* or *dynamic/dof* or *energy* or *press* or *respa* or *temp* or *virial*
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.. parsed-literal::
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@ -13,7 +13,7 @@ Syntax
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* ID, group-ID are documented in :doc:`fix <fix>` command
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* style_name = *npt/cauchy*
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* one or more keyword/value pairs may be appended
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* 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*
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* 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*
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.. parsed-literal::
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@ -16,7 +16,7 @@ Syntax
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* type = atom type to assign to inserted particles (offset for molecule insertion)
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* seed = random # seed (positive integer)
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* one or more keyword/value pairs may be appended to args
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* keyword = *region* or *diam* or *vol* or *rate* or *dens* or *vel* or *mol* or *rigid* or *shake* or *ignore*
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* keyword = *region* or *diam* or *id* or *vol* or *rate* or *dens* or *vel* or *mol* or *molfrac* or *rigid* or *shake* or *ignore*
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.. parsed-literal::
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@ -80,7 +80,7 @@ Syntax
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groupID1, groupID2, ... = list of N group IDs
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* zero or more keyword/value pairs may be appended
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* 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*
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* 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*
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.. parsed-literal::
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@ -115,6 +115,11 @@ Syntax
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xflag,yflag,zflag = off/on if component of center-of-mass torque is active
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*infile* filename
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filename = file with per-body values of mass, center-of-mass, moments of inertia
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*gravity* values = gravity-ID
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gravity-ID = ID of fix gravity command to add gravitational forces
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..
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FIXME These don't seem to be included in the source code
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*mol* value = template-ID
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template-ID = ID of molecule template specified in a separate :doc:`molecule <molecule>` command
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@ -17,7 +17,7 @@ Syntax
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* pdim = *x* or *y* or *z* = direction of momentum transfer
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* Nbin = # of layers in pdim direction (must be even number)
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* zero or more keyword/value pairs may be appended
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* keyword = *swap* or *target*
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* keyword = *swap* or *vtarget*
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.. parsed-literal::
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@ -70,7 +70,7 @@ Syntax
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cutoff = distance from wall at which wall-particle interaction is cut off (distance units)
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* zero or more keyword/value pairs may be appended
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* keyword = *units* or *fld*
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* keyword = *units* or *fld* or *pbc*
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.. parsed-literal::
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@ -14,7 +14,7 @@ Syntax
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* wall/piston = style name of this fix command
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* face = *zlo*
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* zero or more keyword/value pairs may be appended
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* keyword = *pos* or *vel* or *ramp* or *units*
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* keyword = *pos* or *vel* or *ramp* or *temp* or *units*
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.. parsed-literal::
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@ -32,6 +32,10 @@ Syntax
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*lattice* = the wall position is defined in lattice units
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*box* = the wall position is defined in simulation box units
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..
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FIXME: There are several "undocumented" key words for this fix: *rough*,
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*rampNL1*, *rampNL2*, *rampNL3*, *rampNL4*, and *rampNL5*.
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Examples
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""""""""
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