replace parsed-literal with code-block where appropriate. typeset keywords in cursive

This commit is contained in:
Axel Kohlmeyer 2020-03-10 16:54:04 -04:00
parent 2d329a8b76
commit 1f4725d652
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
31 changed files with 71 additions and 68 deletions

View File

@ -29,7 +29,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix pull ligand spring tether 50.0 0.0 0.0 0.0 0.0 fix pull ligand spring tether 50.0 0.0 0.0 0.0 0.0
fix pull ligand spring tether 50.0 0.0 0.0 0.0 5.0 fix pull ligand spring tether 50.0 0.0 0.0 0.0 5.0

View File

@ -19,7 +19,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix restrain all spring/chunk 100 chunkID comID fix restrain all spring/chunk 100 chunkID comID

View File

@ -22,7 +22,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 protein spring/rg 5.0 10.0 fix 1 protein spring/rg 5.0 10.0
fix 2 micelle spring/rg 5.0 NULL fix 2 micelle spring/rg 5.0 NULL

View File

@ -18,7 +18,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix tether boundary-atoms spring/self 10.0 fix tether boundary-atoms spring/self 10.0
fix zrest move spring/self 10.0 z fix zrest move spring/self 10.0 z

View File

@ -50,7 +50,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 srd srd 10 big 1.0 0.25 482984 fix 1 srd srd 10 big 1.0 0.25 482984
fix 1 srd srd 10 big 0.5 0.25 482984 collision slip search 0.5 fix 1 srd srd 10 big 0.5 0.25 482984 collision slip search 0.5

View File

@ -16,7 +16,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 all store/force fix 1 all store/force

View File

@ -64,7 +64,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 all store/state 0 x y z fix 1 all store/state 0 x y z
fix 1 all store/state 0 xu yu zu com yes fix 1 all store/state 0 xu yu zu com yes

View File

@ -23,7 +23,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 all temp/berendsen 300.0 300.0 100.0 fix 1 all temp/berendsen 300.0 300.0 100.0
@ -84,7 +84,7 @@ This fix computes a temperature each timestep. To do this, the fix
creates its own compute of style "temp", as if this command had been creates its own compute of style "temp", as if this command had been
issued: issued:
.. parsed-literal:: .. code-block:: LAMMPS
compute fix-ID_temp group-ID temp compute fix-ID_temp group-ID temp

View File

@ -12,7 +12,6 @@ Syntax
.. parsed-literal:: .. parsed-literal::
fix ID group-ID temp/csvr Tstart Tstop Tdamp seed fix ID group-ID temp/csvr Tstart Tstop Tdamp seed
fix ID group-ID temp/csld Tstart Tstop Tdamp seed fix ID group-ID temp/csld Tstart Tstop Tdamp seed
* ID, group-ID are documented in :doc:`fix <fix>` command * ID, group-ID are documented in :doc:`fix <fix>` command
@ -29,10 +28,9 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 all temp/csvr 300.0 300.0 100.0 54324 fix 1 all temp/csvr 300.0 300.0 100.0 54324
fix 1 all temp/csld 100.0 300.0 10.0 123321 fix 1 all temp/csld 100.0 300.0 10.0 123321
Description Description
@ -94,7 +92,7 @@ These fixes compute a temperature each timestep. To do this, the fix
creates its own compute of style "temp", as if this command had been creates its own compute of style "temp", as if this command had been
issued: issued:
.. parsed-literal:: .. code-block:: LAMMPS
compute fix-ID_temp group-ID temp compute fix-ID_temp group-ID temp

View File

@ -25,7 +25,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 3 flow temp/rescale 100 1.0 1.1 0.02 0.5 fix 3 flow temp/rescale 100 1.0 1.1 0.02 0.5
fix 3 boundary temp/rescale 1 1.0 1.5 0.05 1.0 fix 3 boundary temp/rescale 1 1.0 1.5 0.05 1.0
@ -91,7 +91,7 @@ This fix computes a temperature each timestep. To do this, the fix
creates its own compute of style "temp", as if one of this command had creates its own compute of style "temp", as if one of this command had
been issued: been issued:
.. parsed-literal:: .. code-block:: LAMMPS
compute fix-ID_temp group-ID temp compute fix-ID_temp group-ID temp

View File

@ -20,7 +20,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 3 flow temp/rescale/eff 10 1.0 100.0 0.02 1.0 fix 3 flow temp/rescale/eff 10 1.0 100.0 0.02 1.0

View File

@ -27,7 +27,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 all tfmc 0.1 1000.0 159345 fix 1 all tfmc 0.1 1000.0 159345
fix 1 all tfmc 0.05 600.0 658943 com 1 1 0 fix 1 all tfmc 0.05 600.0 658943 com 1 1 0

View File

@ -25,7 +25,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 all thermal/conductivity 100 z 20 fix 1 all thermal/conductivity 100 z 20
fix 1 all thermal/conductivity 50 z 20 swap 2 fix 1 all thermal/conductivity 50 z 20 swap 2
@ -63,7 +63,7 @@ this induces a temperature gradient in the system which can be
measured using commands such as the following, which writes the measured using commands such as the following, which writes the
temperature profile (assuming z = edim) to the file tmp.profile: temperature profile (assuming z = edim) to the file tmp.profile:
.. parsed-literal:: .. code-block:: LAMMPS
compute ke all ke/atom compute ke all ke/atom
variable temp atom c_ke/1.5 variable temp atom c_ke/1.5

View File

@ -25,7 +25,7 @@ Syntax
**Example:** **Example:**
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 all ti/spring 50.0 2000 1000 function 2 fix 1 all ti/spring 50.0 2000 1000 function 2

View File

@ -20,7 +20,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 all nve fix 1 all nve
fix 2 tmdatoms tmd 1.0 target_file 100 tmd_dump_file fix 2 tmdatoms tmd 1.0 target_file 100 tmd_dump_file

View File

@ -49,7 +49,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 2 all ttm 699489 1.0 1.0 10 0.1 0.0 2.0 1 12 1 initialTs 1000 T.out fix 2 all ttm 699489 1.0 1.0 10 0.1 0.0 2.0 1 12 1 initialTs 1000 T.out
fix 2 all ttm 123456 1.0 1.0 1.0 1.0 1.0 5.0 5 5 5 Te.in 1 Te.out fix 2 all ttm 123456 1.0 1.0 1.0 1.0 1.0 5.0 5 5 5 Te.in 1 Te.out

View File

@ -17,7 +17,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 2 all tune/kspace 100 fix 2 all tune/kspace 100

View File

@ -28,7 +28,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 all vector 100 c_myTemp fix 1 all vector 100 c_myTemp
fix 1 all vector 5 c_myTemp v_integral fix 1 all vector 5 c_myTemp v_integral
@ -48,11 +48,11 @@ time-integrated using the :doc:`variable trap() <variable>` function.
For example the velocity auto-correlation function (VACF) can be For example the velocity auto-correlation function (VACF) can be
time-integrated, to yield a diffusion coefficient, as follows: time-integrated, to yield a diffusion coefficient, as follows:
.. parsed-literal:: .. code-block:: LAMMPS
compute 2 all vacf compute 2 all vacf
fix 5 all vector 1 c_2[4] fix 5 all vector 1 c_2[4]
variable diff equal dt\*trap(f_5) variable diff equal dt*trap(f_5)
thermo_style custom step v_diff thermo_style custom step v_diff
The group specified with this command is ignored. However, note that The group specified with this command is ignored. However, note that

View File

@ -27,7 +27,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 all viscosity 100 x z 20 fix 1 all viscosity 100 x z 20
fix 1 all viscosity 50 x z 20 swap 2 vtarget 1.5 fix 1 all viscosity 50 x z 20 swap 2 vtarget 1.5
@ -62,7 +62,7 @@ directions. Over time, this induces a shear velocity profile in the
system which can be measured using commands such as the following, system which can be measured using commands such as the following,
which writes the profile to the file tmp.profile: which writes the profile to the file tmp.profile:
.. parsed-literal:: .. code-block:: LAMMPS
compute layers all chunk/atom bin/1d z lower 0.05 units reduced compute layers all chunk/atom bin/1d z lower 0.05 units reduced
fix f1 all ave/chunk 100 10 1000 layers vx file tmp.profile fix f1 all ave/chunk 100 10 1000 layers vx file tmp.profile

View File

@ -25,7 +25,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 flow viscous 0.1 fix 1 flow viscous 0.1
fix 1 damp viscous 0.5 scale 3 2.5 fix 1 damp viscous 0.5 scale 3 2.5

View File

@ -82,7 +82,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix wallhi all wall/lj93 xlo -1.0 1.0 1.0 2.5 units box fix wallhi all wall/lj93 xlo -1.0 1.0 1.0 2.5 units box
fix wallhi all wall/lj93 xhi EDGE 1.0 1.0 2.5 fix wallhi all wall/lj93 xhi EDGE 1.0 1.0 2.5
@ -285,7 +285,7 @@ in a time-dependent fashion using equal-style
:doc:`variables <variable>`. The wall interaction parameters (epsilon, :doc:`variables <variable>`. The wall interaction parameters (epsilon,
sigma) could be varied with additional variable definitions. sigma) could be varied with additional variable definitions.
.. parsed-literal:: .. code-block:: LAMMPS
variable ramp equal ramp(0,10) variable ramp equal ramp(0,10)
fix 1 all wall xlo v_ramp 1.0 1.0 2.5 fix 1 all wall xlo v_ramp 1.0 1.0 2.5
@ -299,20 +299,20 @@ sigma) could be varied with additional variable definitions.
variable wiggle equal cwiggle(0.0,5.0,3.0) variable wiggle equal cwiggle(0.0,5.0,3.0)
fix 1 all wall xlo v_wiggle 1.0 1.0 2.5 fix 1 all wall xlo v_wiggle 1.0 1.0 2.5
The ramp(lo,hi) function adjusts the wall position linearly from lo to The *ramp(lo,hi)* function adjusts the wall position linearly from *lo* to
hi over the course of a run. The vdisplace(c0,velocity) function does *hi* over the course of a run. The *vdisplace(c0,velocity)* function does
something similar using the equation position = c0 + velocity\*delta, something similar using the equation *position = c0 + velocity\*delta*\ ,
where delta is the elapsed time. where *delta* is the elapsed time.
The swiggle(c0,A,period) function causes the wall position to The *swiggle(c0,A,period)* function causes the wall position to
oscillate sinusoidally according to this equation, where omega = 2 PI oscillate sinusoidally according to this equation, where *omega = 2 PI
/ period: / period*\ :
.. parsed-literal:: .. parsed-literal::
position = c0 + A sin(omega\*delta) position = c0 + A sin(omega\*delta)
The cwiggle(c0,A,period) function causes the wall position to The *cwiggle(c0,A,period)* function causes the wall position to
oscillate sinusoidally according to this equation, which will have an oscillate sinusoidally according to this equation, which will have an
initial wall velocity of 0.0, and thus may impose a gentler initial wall velocity of 0.0, and thus may impose a gentler
perturbation on the particles: perturbation on the particles:

View File

@ -38,7 +38,9 @@ Syntax
Examples Examples
"""""""" """"""""
fix 1 all wall/body/polygon 1000.0 20.0 5.0 xplane -10.0 10.0 .. code-block:: LAMMPS
fix 1 all wall/body/polygon 1000.0 20.0 5.0 xplane -10.0 10.0
Description Description
""""""""""" """""""""""

View File

@ -38,7 +38,9 @@ Syntax
Examples Examples
"""""""" """"""""
fix 1 all wall/body/polyhedron 1000.0 20.0 5.0 xplane -10.0 10.0 .. code-block:: LAMMPS
fix 1 all wall/body/polyhedron 1000.0 20.0 5.0 xplane -10.0 10.0
Description Description
""""""""""" """""""""""

View File

@ -42,7 +42,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix wallhi all wall/ees xlo -1.0 1.0 1.0 2.5 units box fix wallhi all wall/ees xlo -1.0 1.0 1.0 2.5 units box
fix wallhi all wall/ees xhi EDGE 1.0 1.0 2.5 fix wallhi all wall/ees xhi EDGE 1.0 1.0 2.5

View File

@ -60,7 +60,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix 1 all wall/gran hooke 200000.0 NULL 50.0 NULL 0.5 0 xplane -10.0 10.0 fix 1 all wall/gran hooke 200000.0 NULL 50.0 NULL 0.5 0 xplane -10.0 10.0
fix 1 all wall/gran hooke/history 200000.0 NULL 50.0 NULL 0.5 0 zplane 0.0 NULL fix 1 all wall/gran hooke/history 200000.0 NULL 50.0 NULL 0.5 0 zplane 0.0 NULL
@ -111,7 +111,8 @@ material.
.. note:: .. note::
As discussed on the doc page for :doc:`pair_style gran/\* <pair_gran>`, versions of LAMMPS before 9Jan09 used a As discussed on the doc page for :doc:`pair_style gran/\* <pair_gran>`,
versions of LAMMPS before 9Jan09 used a
different equation for Hertzian interactions. This means Hertizian different equation for Hertzian interactions. This means Hertizian
wall/particle interactions have also changed. They now include a wall/particle interactions have also changed. They now include a
sqrt(radius) term which was not present before. Also the previous sqrt(radius) term which was not present before. Also the previous

View File

@ -40,7 +40,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix wall all wall/gran/region hooke/history 1000.0 200.0 200.0 100.0 0.5 1 region myCone fix wall all wall/gran/region hooke/history 1000.0 200.0 200.0 100.0 0.5 1 region myCone
fix 3 all wall/gran/region granular hooke 1000.0 50.0 tangential linear_nohistory 1.0 0.4 damping velocity region myBox fix 3 all wall/gran/region granular hooke 1000.0 50.0 tangential linear_nohistory 1.0 0.4 damping velocity region myBox

View File

@ -35,7 +35,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix xwalls all wall/piston zlo fix xwalls all wall/piston zlo
fix walls all wall/piston zlo pos 1.0 vel 10.0 units box fix walls all wall/piston zlo pos 1.0 vel 10.0 units box

View File

@ -37,7 +37,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix xwalls all wall/reflect xlo EDGE xhi EDGE fix xwalls all wall/reflect xlo EDGE xhi EDGE
fix walls all wall/reflect xlo 0.0 ylo 10.0 units box fix walls all wall/reflect xlo 0.0 ylo 10.0 units box
@ -101,7 +101,7 @@ Here are examples of variable definitions that move the wall position
in a time-dependent fashion using equal-style in a time-dependent fashion using equal-style
:doc:`variables <variable>`. :doc:`variables <variable>`.
.. parsed-literal:: .. code-block:: LAMMPS
variable ramp equal ramp(0,10) variable ramp equal ramp(0,10)
fix 1 all wall/reflect xlo v_ramp fix 1 all wall/reflect xlo v_ramp
@ -115,20 +115,20 @@ in a time-dependent fashion using equal-style
variable wiggle equal cwiggle(0.0,5.0,3.0) variable wiggle equal cwiggle(0.0,5.0,3.0)
fix 1 all wall/reflect xlo v_wiggle fix 1 all wall/reflect xlo v_wiggle
The ramp(lo,hi) function adjusts the wall position linearly from lo to The *ramp(lo,hi)* function adjusts the wall position linearly from *lo* to
hi over the course of a run. The vdisplace(c0,velocity) function does *hi* over the course of a run. The *vdisplace(c0,velocity)* function does
something similar using the equation position = c0 + velocity\*delta, something similar using the equation *position = c0 + velocity\*delta*\ ,
where delta is the elapsed time. where *delta* is the elapsed time.
The swiggle(c0,A,period) function causes the wall position to The *swiggle(c0,A,period)* function causes the wall position to
oscillate sinusoidally according to this equation, where omega = 2 PI oscillate sinusoidally according to this equation, where *omega = 2 PI
/ period: / period*\ :
.. parsed-literal:: .. parsed-literal::
position = c0 + A sin(omega\*delta) position = c0 + A sin(omega\*delta)
The cwiggle(c0,A,period) function causes the wall position to The *cwiggle(c0,A,period)* function causes the wall position to
oscillate sinusoidally according to this equation, which will have an oscillate sinusoidally according to this equation, which will have an
initial wall velocity of 0.0, and thus may impose a gentler initial wall velocity of 0.0, and thus may impose a gentler
perturbation on the particles: perturbation on the particles:

View File

@ -42,7 +42,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix zwalls all wall/reflect/stochastic diffusive 23424 zlo EDGE 300 0.1 0.1 0 zhi EDGE 200 0.1 0.1 0 fix zwalls all wall/reflect/stochastic diffusive 23424 zlo EDGE 300 0.1 0.1 0 zhi EDGE 200 0.1 0.1 0
fix ywalls all wall/reflect/stochastic maxwell 345533 ylo 5.0 300 0.1 0.0 0.0 0.8 yhi 10.0 300 0.1 0.0 0.0 0.8 fix ywalls all wall/reflect/stochastic maxwell 345533 ylo 5.0 300 0.1 0.0 0.0 0.8 yhi 10.0 300 0.1 0.0 0.0 0.8

View File

@ -34,7 +34,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix wall all wall/region mySphere lj93 1.0 1.0 2.5 fix wall all wall/region mySphere lj93 1.0 1.0 2.5
fix wall all wall/region mySphere harmonic 1.0 0.0 2.5 fix wall all wall/region mySphere harmonic 1.0 0.0 2.5

View File

@ -38,7 +38,7 @@ Syntax
Examples Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
fix xwalls all wall/srd xlo EDGE xhi EDGE fix xwalls all wall/srd xlo EDGE xhi EDGE
fix walls all wall/srd xlo 0.0 ylo 10.0 units box fix walls all wall/srd xlo 0.0 ylo 10.0 units box
@ -139,7 +139,7 @@ Here are examples of variable definitions that move the wall position
in a time-dependent fashion using equal-style in a time-dependent fashion using equal-style
:doc:`variables <variable>`. :doc:`variables <variable>`.
.. parsed-literal:: .. code-block:: LAMMPS
variable ramp equal ramp(0,10) variable ramp equal ramp(0,10)
fix 1 all wall/srd xlo v_ramp fix 1 all wall/srd xlo v_ramp
@ -153,20 +153,20 @@ in a time-dependent fashion using equal-style
variable wiggle equal cwiggle(0.0,5.0,3.0) variable wiggle equal cwiggle(0.0,5.0,3.0)
fix 1 all wall/srd xlo v_wiggle fix 1 all wall/srd xlo v_wiggle
The ramp(lo,hi) function adjusts the wall position linearly from lo to The *ramp(lo,hi)* function adjusts the wall position linearly from *lo*
hi over the course of a run. The displace(c0,velocity) function does to *hi* over the course of a run. The *vdisplace(c0,velocity)* function
something similar using the equation position = c0 + velocity\*delta, does something similar using the equation *position = c0 +
where delta is the elapsed time. velocity\*delta*, where *delta* is the elapsed time.
The swiggle(c0,A,period) function causes the wall position to The *swiggle(c0,A,period)* function causes the wall position to
oscillate sinusoidally according to this equation, where omega = 2 PI oscillate sinusoidally according to this equation, where *omega = 2 PI
/ period: / period*\ :
.. parsed-literal:: .. parsed-literal::
position = c0 + A sin(omega\*delta) position = c0 + A sin(omega\*delta)
The cwiggle(c0,A,period) function causes the wall position to The *cwiggle(c0,A,period)* function causes the wall position to
oscillate sinusoidally according to this equation, which will have an oscillate sinusoidally according to this equation, which will have an
initial wall velocity of 0.0, and thus may impose a gentler initial wall velocity of 0.0, and thus may impose a gentler
perturbation on the particles: perturbation on the particles: