diff --git a/doc/src/fix_bond_break.rst b/doc/src/fix_bond_break.rst index 6951cfc806..c4488574dc 100644 --- a/doc/src/fix_bond_break.rst +++ b/doc/src/fix_bond_break.rst @@ -27,7 +27,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 5 all bond/break 10 2 1.2 fix 5 polymer bond/break 1 1 2.0 prob 0.5 49829 diff --git a/doc/src/fix_bond_create.rst b/doc/src/fix_bond_create.rst index 8f09c638ca..42c94fb9bc 100644 --- a/doc/src/fix_bond_create.rst +++ b/doc/src/fix_bond_create.rst @@ -40,7 +40,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 5 all bond/create 10 1 2 0.8 1 fix 5 all bond/create 1 3 3 0.8 1 prob 0.5 85784 iparam 2 3 diff --git a/doc/src/fix_bond_react.rst b/doc/src/fix_bond_react.rst index 7f69f1bda7..3d9101d20b 100644 --- a/doc/src/fix_bond_react.rst +++ b/doc/src/fix_bond_react.rst @@ -59,7 +59,7 @@ Examples For unabridged example scripts and files, see examples/USER/reaction. -.. parsed-literal:: +.. code-block:: LAMMPS molecule mol1 pre_reacted_topology.txt molecule mol2 post_reacted_topology.txt @@ -466,7 +466,7 @@ atoms currently involved in a reaction. For example, adding the following command would add an additional thermostat to the group of all currently-reacting atoms: -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 bond_react_MASTER_group temp/rescale 1 300 300 10 1 diff --git a/doc/src/fix_bond_swap.rst b/doc/src/fix_bond_swap.rst index b593c8de1f..773bceb6e7 100644 --- a/doc/src/fix_bond_swap.rst +++ b/doc/src/fix_bond_swap.rst @@ -20,7 +20,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all bond/swap 50 0.5 1.3 598934 @@ -119,7 +119,7 @@ This fix computes a temperature each time it is invoked for use by the Boltzmann criterion. To do this, the fix creates its own compute of style *temp*\ , as if this command had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp all temp diff --git a/doc/src/fix_box_relax.rst b/doc/src/fix_box_relax.rst index a90b301e4b..b7e5c5bb4c 100644 --- a/doc/src/fix_box_relax.rst +++ b/doc/src/fix_box_relax.rst @@ -32,7 +32,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all box/relax iso 0.0 vmax 0.001 fix 2 water box/relax aniso 0.0 dilate partial @@ -286,7 +286,7 @@ pressure, even though this is subsequently ignored by default. To do this, the fix creates its own computes of style "temp" and "pressure", as if these commands had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp group-ID temp compute fix-ID_press group-ID pressure fix-ID_temp virial @@ -343,7 +343,7 @@ result in double-counting of the fix energy in the minimization energy. Instead, the fix energy can be explicitly added to the potential energy using one of these two variants: -.. parsed-literal:: +.. code-block:: LAMMPS variable emin equal pe+f_1 diff --git a/doc/src/fix_client_md.rst b/doc/src/fix_client_md.rst index 93b489023e..2e7f04f01c 100644 --- a/doc/src/fix_client_md.rst +++ b/doc/src/fix_client_md.rst @@ -16,7 +16,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all client/md diff --git a/doc/src/fix_cmap.rst b/doc/src/fix_cmap.rst index f2b26ba73a..b2ce4d79ad 100644 --- a/doc/src/fix_cmap.rst +++ b/doc/src/fix_cmap.rst @@ -17,7 +17,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix myCMAP all cmap ../potentials/cmap36.data read_data proteinX.data fix myCMAP crossterm CMAP diff --git a/doc/src/fix_colvars.rst b/doc/src/fix_colvars.rst index 9b415127f1..af778b2207 100644 --- a/doc/src/fix_colvars.rst +++ b/doc/src/fix_colvars.rst @@ -27,7 +27,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix mtd all colvars peptide.colvars.inp seed 2122 input peptide.colvars.state output peptide fix abf all colvars colvars.inp tstat 1 diff --git a/doc/src/fix_controller.rst b/doc/src/fix_controller.rst index 1c58516a8a..3d14bdee08 100644 --- a/doc/src/fix_controller.rst +++ b/doc/src/fix_controller.rst @@ -33,7 +33,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all controller 100 1.0 0.5 0.0 0.0 c_thermo_temp 1.5 tcontrol fix 1 all controller 100 0.2 0.5 0 100.0 v_pxxwall 1.01325 xwall diff --git a/doc/src/fix_deform.rst b/doc/src/fix_deform.rst index 70e6140714..7001b2304e 100644 --- a/doc/src/fix_deform.rst +++ b/doc/src/fix_deform.rst @@ -81,7 +81,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all deform 1 x final 0.0 9.0 z final 0.0 5.0 units box fix 1 all deform 1 x trate 0.1 y volume z volume @@ -280,12 +280,12 @@ Here is an example of using the *variable* style to perform the same box deformation as the *wiggle* style formula listed above, where we assume that the current timestep = 0. -.. parsed-literal:: +.. code-block:: LAMMPS variable A equal 5.0 variable Tp equal 10.0 - variable displace equal "v_A \* sin(2\*PI \* step\*dt/v_Tp)" - variable rate equal "2\*PI\*v_A/v_Tp \* cos(2\*PI \* step\*dt/v_Tp)" + variable displace equal "v_A * sin(2*PI * step*dt/v_Tp)" + variable rate equal "2*PI*v_A/v_Tp * cos(2*PI * step*dt/v_Tp)" fix 2 all deform 1 x variable v_displace v_rate remap v For the *scale*\ , *vel*\ , *erate*\ , *trate*\ , *volume*\ , *wiggle*\ , and @@ -425,12 +425,12 @@ Here is an example of using the *variable* style to perform the same box deformation as the *wiggle* style formula listed above, where we assume that the current timestep = 0. -.. parsed-literal:: +.. code-block:: LAMMPS variable A equal 5.0 variable Tp equal 10.0 - variable displace equal "v_A \* sin(2\*PI \* step\*dt/v_Tp)" - variable rate equal "2\*PI\*v_A/v_Tp \* cos(2\*PI \* step\*dt/v_Tp)" + variable displace equal "v_A * sin(2*PI * step*dt/v_Tp)" + variable rate equal "2*PI*v_A/v_Tp * cos(2*PI * step*dt/v_Tp)" fix 2 all deform 1 xy variable v_displace v_rate remap v ---------- diff --git a/doc/src/fix_deposit.rst b/doc/src/fix_deposit.rst index cf2b59709e..c379dcd9b0 100644 --- a/doc/src/fix_deposit.rst +++ b/doc/src/fix_deposit.rst @@ -65,7 +65,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 3 all deposit 1000 2 100 29494 region myblock local 1.0 1.0 1.0 units box fix 2 newatoms deposit 10000 1 500 12345 region disk near 2.0 vz -1.0 -0.8 diff --git a/doc/src/fix_dpd_energy.rst b/doc/src/fix_dpd_energy.rst index 436af3c344..f7dc52fbe6 100644 --- a/doc/src/fix_dpd_energy.rst +++ b/doc/src/fix_dpd_energy.rst @@ -19,7 +19,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all dpd/energy diff --git a/doc/src/fix_dpd_source.rst b/doc/src/fix_dpd_source.rst index a13382728d..8a2cd885ee 100644 --- a/doc/src/fix_dpd_source.rst +++ b/doc/src/fix_dpd_source.rst @@ -33,7 +33,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all edpd/source sphere 0.0 0.0 0.0 5.0 0.01 fix 1 all edpd/source cuboid 0.0 0.0 0.0 20.0 10.0 10.0 -0.01 diff --git a/doc/src/fix_drag.rst b/doc/src/fix_drag.rst index ed94f0e7fa..74d98d7a40 100644 --- a/doc/src/fix_drag.rst +++ b/doc/src/fix_drag.rst @@ -19,7 +19,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix center small-molecule drag 0.0 10.0 0.0 5.0 2.0 diff --git a/doc/src/fix_drude.rst b/doc/src/fix_drude.rst index 73b9921fda..db13d8d052 100644 --- a/doc/src/fix_drude.rst +++ b/doc/src/fix_drude.rst @@ -17,7 +17,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all drude 1 1 0 1 0 2 2 2 fix 1 all drude C C N C N D D D diff --git a/doc/src/fix_drude_transform.rst b/doc/src/fix_drude_transform.rst index 10c4bbfc60..7a17ab98cf 100644 --- a/doc/src/fix_drude_transform.rst +++ b/doc/src/fix_drude_transform.rst @@ -19,7 +19,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 3 all drude/transform/direct fix 1 all drude/transform/inverse @@ -132,7 +132,7 @@ acting on two distinct groups. Example: -.. parsed-literal:: +.. code-block:: LAMMPS fix fDIRECT all drude/transform/direct fix fNVT gCORES nvt temp 300.0 300.0 100 @@ -157,7 +157,7 @@ pressure *thermo\_press*. Example: -.. parsed-literal:: +.. code-block:: LAMMPS compute cTEMP_CORE gCORES temp/com fix fDIRECT all drude/transform/direct @@ -176,7 +176,7 @@ In order to avoid the flying ice cube problem (irreversible transfer of linear momentum to the center of mass of the system), you may need to add a *fix momentum* command: -.. parsed-literal:: +.. code-block:: LAMMPS fix fMOMENTUM all momentum 100 linear 1 1 1 diff --git a/doc/src/fix_dt_reset.rst b/doc/src/fix_dt_reset.rst index cc0de3dfbc..e86d11ac94 100644 --- a/doc/src/fix_dt_reset.rst +++ b/doc/src/fix_dt_reset.rst @@ -30,7 +30,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 5 all dt/reset 10 1.0e-5 0.01 0.1 fix 5 all dt/reset 10 0.01 2.0 0.2 units box diff --git a/doc/src/fix_efield.rst b/doc/src/fix_efield.rst index 9f54cd2ad3..9084cbc2d6 100644 --- a/doc/src/fix_efield.rst +++ b/doc/src/fix_efield.rst @@ -27,7 +27,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix kick external-field efield 1.0 0.0 0.0 fix kick external-field efield 0.0 0.0 v_oscillate diff --git a/doc/src/fix_ehex.rst b/doc/src/fix_ehex.rst index 86cb42c8cd..96eb94db01 100644 --- a/doc/src/fix_ehex.rst +++ b/doc/src/fix_ehex.rst @@ -31,7 +31,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS # Lennard-Jones, from examples/in.ehex.lj diff --git a/doc/src/fix_electron_stopping.rst b/doc/src/fix_electron_stopping.rst index 459883ea2f..5fea8a3d6d 100644 --- a/doc/src/fix_electron_stopping.rst +++ b/doc/src/fix_electron_stopping.rst @@ -27,7 +27,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix el all electron/stopping 10.0 elstop-table.txt fix el all electron/stopping 10.0 elstop-table.txt minneigh 3 diff --git a/doc/src/fix_enforce2d.rst b/doc/src/fix_enforce2d.rst index 3351d59303..f775572720 100644 --- a/doc/src/fix_enforce2d.rst +++ b/doc/src/fix_enforce2d.rst @@ -19,7 +19,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 5 all enforce2d diff --git a/doc/src/fix_eos_cv.rst b/doc/src/fix_eos_cv.rst index 5913d0e887..50281b6e71 100644 --- a/doc/src/fix_eos_cv.rst +++ b/doc/src/fix_eos_cv.rst @@ -17,7 +17,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all eos/cv 0.01 diff --git a/doc/src/fix_eos_table.rst b/doc/src/fix_eos_table.rst index e15bcfa882..a21de28b04 100644 --- a/doc/src/fix_eos_table.rst +++ b/doc/src/fix_eos_table.rst @@ -20,7 +20,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all eos/table linear eos.table 100000 KEYWORD diff --git a/doc/src/fix_eos_table_rx.rst b/doc/src/fix_eos_table_rx.rst index b85df50769..e3cd4e8ce8 100644 --- a/doc/src/fix_eos_table_rx.rst +++ b/doc/src/fix_eos_table_rx.rst @@ -27,7 +27,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all eos/table/rx linear eos.table 10000 KEYWORD thermo.table fix 1 all eos/table/rx linear eos.table 10000 KEYWORD 1.5 diff --git a/doc/src/fix_evaporate.rst b/doc/src/fix_evaporate.rst index 36469dc5c3..8883940002 100644 --- a/doc/src/fix_evaporate.rst +++ b/doc/src/fix_evaporate.rst @@ -26,7 +26,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 solvent evaporate 1000 10 surface 49892 fix 1 solvent evaporate 1000 10 surface 38277 molecule yes diff --git a/doc/src/fix_external.rst b/doc/src/fix_external.rst index 78a60ac93a..01020d27b2 100644 --- a/doc/src/fix_external.rst +++ b/doc/src/fix_external.rst @@ -25,7 +25,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all external pf/callback 1 1 fix 1 all external pf/callback 100 1 @@ -51,23 +51,25 @@ be used multiple times to update atom forces. The callback function "foo" is invoked by the fix as: -.. parsed-literal:: +.. code-block:: c++ - foo(void \*ptr, bigint timestep, int nlocal, int \*ids, double \*\*x, double \*\*fexternal); + foo(void *ptr, bigint timestep, int nlocal, tagint *ids, double **x, double **fexternal); The arguments are as follows: -* ptr = pointer provided by and simply passed back to external driver -* timestep = current LAMMPS timestep -* nlocal = # of atoms on this processor -* ids = list of atom IDs on this processor -* x = coordinates of atoms on this processor -* fexternal = forces to add to atoms on this processor +* *ptr* = pointer provided by and simply passed back to external driver +* *timestep* = current LAMMPS timestep +* *nlocal* = # of atoms on this processor +* *ids* = list of atom IDs on this processor +* *x* = coordinates of atoms on this processor +* *fexternal* = forces to add to atoms on this processor -Note that timestep is a "bigint" which is defined in src/lmptype.h, -typically as a 64-bit integer. - -Fexternal are the forces returned by the driver program. +Note that *timestep* is a "bigint" which is defined in src/lmptype.h, +typically as a 64-bit integer. And *ids* is a pointer to type "tagint" +which is typically a 32-bit integer unless LAMMPS is compiled with +-DLAMMPS\_BIGBIG. For more info please see the :ref:`build settings +` section of the manual. Finally, *fexternal* are the forces +returned by the driver program. The fix has a set\_callback() method which the external driver can call to pass a pointer to its foo() function. See the @@ -87,9 +89,9 @@ every *Napply* steps, similar to the way the :doc:`fix addforce ` The name of the public force array provided by the FixExternal class is -.. parsed-literal:: +.. code-block:: c++ - double \*\*fexternal; + double **fexternal; It is allocated by the FixExternal class as an (N,3) array where N is the number of atoms owned by a processor. The 3 corresponds to the @@ -111,7 +113,7 @@ added forces. Otherwise the minimization will not converge correctly. This can be done from the external driver by calling this public method of the FixExternal class: -.. parsed-literal:: +.. code-block:: c++ void set_energy(double eng); diff --git a/doc/src/fix_ffl.rst b/doc/src/fix_ffl.rst index f6fd3e5c69..837e1c310c 100644 --- a/doc/src/fix_ffl.rst +++ b/doc/src/fix_ffl.rst @@ -24,7 +24,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 3 boundary ffl 10 300 300 31415 fix 1 all ffl 100 500 500 9265 soft diff --git a/doc/src/fix_filter_corotate.rst b/doc/src/fix_filter_corotate.rst index 95a5a19042..162b3c244b 100644 --- a/doc/src/fix_filter_corotate.rst +++ b/doc/src/fix_filter_corotate.rst @@ -24,7 +24,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS timestep 8 run_style respa 3 2 8 bond 1 pair 2 kspace 3 diff --git a/doc/src/fix_flow_gauss.rst b/doc/src/fix_flow_gauss.rst index 1e1b418bdd..9c1b6711e9 100644 --- a/doc/src/fix_flow_gauss.rst +++ b/doc/src/fix_flow_gauss.rst @@ -31,7 +31,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix GD fluid flow/gauss 1 0 0 fix GD fluid flow/gauss 1 1 1 energy yes diff --git a/doc/src/fix_freeze.rst b/doc/src/fix_freeze.rst index ef74690c21..cec9064aba 100644 --- a/doc/src/fix_freeze.rst +++ b/doc/src/fix_freeze.rst @@ -19,7 +19,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 2 bottom freeze diff --git a/doc/src/fix_gcmc.rst b/doc/src/fix_gcmc.rst index 04694704d1..01954a3639 100644 --- a/doc/src/fix_gcmc.rst +++ b/doc/src/fix_gcmc.rst @@ -56,7 +56,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 2 gas gcmc 10 1000 1000 2 29494 298.0 -0.5 0.01 fix 3 water gcmc 10 100 100 0 3456543 3.0 -2.5 0.1 mol my_one_water maxangle 180 full_energy @@ -150,7 +150,7 @@ thermal equilibrium with the simulation cell. Also, it is important that the temperature used by fix nvt be dynamic/dof, which can be achieved as follows: -.. parsed-literal:: +.. code-block:: LAMMPS compute mdtemp mdatoms temp compute_modify mdtemp dynamic/dof yes @@ -357,7 +357,7 @@ therefore, you will want to use the current number of atoms is used as a normalizing factor each time temperature is computed. A simple example of this is: -.. parsed-literal:: +.. code-block:: LAMMPS compute_modify thermo_temp dynamic yes diff --git a/doc/src/fix_gld.rst b/doc/src/fix_gld.rst index f06c244364..d5e4fd6f4a 100644 --- a/doc/src/fix_gld.rst +++ b/doc/src/fix_gld.rst @@ -33,7 +33,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all gld 1.0 1.0 2 82885 pprony 0.5 1.0 1.0 2.0 frozen yes zero yes fix 3 rouse gld 7.355 7.355 4 48823 pprony 107.1 0.02415 186.0 0.04294 428.6 0.09661 1714 0.38643 diff --git a/doc/src/fix_gle.rst b/doc/src/fix_gle.rst index e2f3d130b6..d4eecaf903 100644 --- a/doc/src/fix_gle.rst +++ b/doc/src/fix_gle.rst @@ -29,7 +29,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 3 boundary gle 6 300 300 31415 smart.A fix 1 all gle 6 300 300 31415 qt-300k.A noneq qt-300k.C diff --git a/doc/src/fix_gravity.rst b/doc/src/fix_gravity.rst index f9e9c10c5e..06e9581f56 100644 --- a/doc/src/fix_gravity.rst +++ b/doc/src/fix_gravity.rst @@ -38,7 +38,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all gravity 1.0 chute 24.0 fix 1 all gravity v_increase chute 24.0 diff --git a/doc/src/fix_grem.rst b/doc/src/fix_grem.rst index cbe13fa634..95a15513d4 100644 --- a/doc/src/fix_grem.rst +++ b/doc/src/fix_grem.rst @@ -20,7 +20,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix fxgREM all grem 400 -0.01 -30000 fxnpt thermo_modify press fxgREM_press diff --git a/doc/src/fix_halt.rst b/doc/src/fix_halt.rst index f8a46de8a9..25ec154ffb 100644 --- a/doc/src/fix_halt.rst +++ b/doc/src/fix_halt.rst @@ -34,7 +34,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 10 all halt 1 bondmax > 1.5 fix 10 all print 10 v_myCheck != 0 error soft @@ -86,7 +86,7 @@ computing some attribute of the current system. For example, the following "bondmax" variable will calculate the same quantity as the hstyle = bondmax option. -.. parsed-literal:: +.. code-block:: LAMMPS compute bdist all bond/local dist compute bmax all reduce max c_bdist @@ -94,7 +94,7 @@ hstyle = bondmax option. Thus these two versions of a fix halt command will do the same thing: -.. parsed-literal:: +.. code-block:: LAMMPS fix 10 all halt 1 bondmax > 1.5 fix 10 all halt 1 v_bondmax > 1.5 diff --git a/doc/src/fix_heat.rst b/doc/src/fix_heat.rst index f140c5117d..cf046fe000 100644 --- a/doc/src/fix_heat.rst +++ b/doc/src/fix_heat.rst @@ -26,7 +26,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 3 qin heat 1 1.0 fix 3 qin heat 10 v_flux diff --git a/doc/src/fix_hyper_global.rst b/doc/src/fix_hyper_global.rst index eb45cee17e..8ac25ede9b 100644 --- a/doc/src/fix_hyper_global.rst +++ b/doc/src/fix_hyper_global.rst @@ -20,7 +20,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all hyper/global 1.0 0.3 0.8 300.0 diff --git a/doc/src/fix_hyper_local.rst b/doc/src/fix_hyper_local.rst index acea82ecd3..5b837ee275 100644 --- a/doc/src/fix_hyper_local.rst +++ b/doc/src/fix_hyper_local.rst @@ -34,7 +34,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all hyper/local 1.0 0.3 0.8 300.0 fix 1 all hyper/local 1.0 0.3 0.8 300.0 bound 0.1 reset 0 @@ -248,7 +248,7 @@ well for many solid-state systems. pair\_style cutoff, which will typically be < *Dcut*\ . The :doc:`comm_modify cutoff ` command should be used to override the ghost cutoff explicitly, e.g. -.. parsed-literal:: +.. code-block:: LAMMPS comm_modify cutoff 12.0 diff --git a/doc/src/fix_imd.rst b/doc/src/fix_imd.rst index 4423a95872..1db18e515f 100644 --- a/doc/src/fix_imd.rst +++ b/doc/src/fix_imd.rst @@ -30,7 +30,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix vmd all imd 5678 fix comm all imd 8888 trate 5 unwrap on fscale 10.0 diff --git a/doc/src/fix_indent.rst b/doc/src/fix_indent.rst index 337508dfd2..945b28efdc 100644 --- a/doc/src/fix_indent.rst +++ b/doc/src/fix_indent.rst @@ -42,7 +42,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all indent 10.0 sphere 0.0 0.0 15.0 3.0 fix 1 all indent 10.0 sphere v_x v_y 0.0 v_radius side in @@ -62,9 +62,9 @@ must set one of those 3 keywords. A spherical indenter exerts a force of magnitude -.. parsed-literal:: +.. math:: - F(r) = - K (r - R)\^2 + F(r) = - K \left( r - R \right)^2 on each atom where *K* is the specified force constant, *r* is the distance from the atom to the center of the indenter, and *R* is the @@ -117,27 +117,27 @@ then this variable definition will keep it's center at a relative position in the simulation box, 1/4 of the way from the left edge to the right edge, even if the box size changes: -.. parsed-literal:: +.. code-block:: LAMMPS - variable x equal "xlo + 0.25\*lx" + variable x equal "xlo + 0.25*lx" Similarly, either of these variable definitions will move the indenter from an initial position at 2.5 at a constant velocity of 5: -.. parsed-literal:: +.. code-block:: LAMMPS - variable x equal "2.5 + 5\*elaplong\*dt" + variable x equal "2.5 + 5*elaplong*dt" variable x equal vdisplace(2.5,5) If a spherical indenter's radius is specified as v\_r, then these variable definitions will grow the size of the indenter at a specified rate. -.. parsed-literal:: +.. code-block:: LAMMPS variable r0 equal 0.0 variable rate equal 1.0 - variable r equal "v_r0 + step\*dt\*v_rate" + variable r equal "v_r0 + step*dt*v_rate" If the *side* keyword is specified as *out*\ , which is the default, then particles outside the indenter are pushed away from its outer @@ -171,7 +171,7 @@ lattice spacing, you can define K with a variable whose formula contains *xlat*\ , *ylat*\ , *zlat* keywords of the :doc:`thermo_style ` command, e.g. -.. parsed-literal:: +.. code-block:: LAMMPS variable k equal 100.0/xlat/xlat fix 1 all indent $k sphere ... diff --git a/doc/src/fix_ipi.rst b/doc/src/fix_ipi.rst index f041bdea94..58049bc4ac 100644 --- a/doc/src/fix_ipi.rst +++ b/doc/src/fix_ipi.rst @@ -20,8 +20,10 @@ Syntax Examples """""""" -fix 1 all ipi my.server.com 12345 -fix 1 all ipi mysocket 666 unix reset +.. code-block:: LAMMPS + + fix 1 all ipi my.server.com 12345 + fix 1 all ipi mysocket 666 unix reset Description """"""""""" diff --git a/doc/src/fix_langevin_drude.rst b/doc/src/fix_langevin_drude.rst index 0cc2a7e898..bcfc4878a4 100644 --- a/doc/src/fix_langevin_drude.rst +++ b/doc/src/fix_langevin_drude.rst @@ -30,7 +30,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 3 all langevin/drude 300.0 100.0 19377 1.0 20.0 83451 fix 1 all langevin/drude 298.15 100.0 19377 5.0 10.0 83451 zero yes @@ -145,7 +145,7 @@ specify the Drude status of each atom type. correctly. You must use the :doc:`comm_modify ` command to enable this, e.g. -.. parsed-literal:: +.. code-block:: LAMMPS comm_modify vel yes @@ -220,7 +220,7 @@ command. Usage example for rigid bodies in the NPT ensemble: -.. parsed-literal:: +.. code-block:: LAMMPS comm_modify vel yes fix TEMP all langevin/drude 300. 100. 1256 1. 20. 13977 zero yes diff --git a/doc/src/fix_latte.rst b/doc/src/fix_latte.rst index 2482e994af..beeec5a014 100644 --- a/doc/src/fix_latte.rst +++ b/doc/src/fix_latte.rst @@ -17,7 +17,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix dftb all latte NULL diff --git a/doc/src/fix_lb_fluid.rst b/doc/src/fix_lb_fluid.rst index d9f783e6a4..53fb0219d7 100644 --- a/doc/src/fix_lb_fluid.rst +++ b/doc/src/fix_lb_fluid.rst @@ -50,7 +50,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all lb/fluid 1 2 1.0 1.0 setGamma 13.0 dx 4.0 dm 10.0 calcforce sphere1 fix 1 all lb/fluid 1 1 1.0 0.0009982071 setArea 1 1.144592082 dx 2.0 dm 0.3 trilinear noise 300.0 8979873 diff --git a/doc/src/fix_lb_momentum.rst b/doc/src/fix_lb_momentum.rst index 7e2d1d70d8..8a3ff8fcdf 100644 --- a/doc/src/fix_lb_momentum.rst +++ b/doc/src/fix_lb_momentum.rst @@ -24,7 +24,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 sphere lb/momentum fix 1 all lb/momentum linear 1 1 0 diff --git a/doc/src/fix_lb_pc.rst b/doc/src/fix_lb_pc.rst index cacc11810b..a7a3ddbccc 100644 --- a/doc/src/fix_lb_pc.rst +++ b/doc/src/fix_lb_pc.rst @@ -16,7 +16,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all lb/pc diff --git a/doc/src/fix_lb_rigid_pc_sphere.rst b/doc/src/fix_lb_rigid_pc_sphere.rst index 9f4beca41a..9edebde0cc 100644 --- a/doc/src/fix_lb_rigid_pc_sphere.rst +++ b/doc/src/fix_lb_rigid_pc_sphere.rst @@ -38,7 +38,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 spheres lb/rigid/pc/sphere fix 1 all lb/rigid/pc/sphere force 1 0 0 innerNodes ForceAtoms diff --git a/doc/src/fix_lb_viscous.rst b/doc/src/fix_lb_viscous.rst index 2cd489d8f6..9b1402af7a 100644 --- a/doc/src/fix_lb_viscous.rst +++ b/doc/src/fix_lb_viscous.rst @@ -16,7 +16,9 @@ Syntax Examples """""""" -fix 1 flow lb/viscous +.. code-block:: LAMMPS + + fix 1 flow lb/viscous Description """"""""""" diff --git a/doc/src/fix_lineforce.rst b/doc/src/fix_lineforce.rst index 748373da93..e15286cbde 100644 --- a/doc/src/fix_lineforce.rst +++ b/doc/src/fix_lineforce.rst @@ -17,7 +17,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix hold boundary lineforce 0.0 1.0 1.0 diff --git a/doc/src/fix_manifoldforce.rst b/doc/src/fix_manifoldforce.rst index 0f6deeb0fa..2847e26387 100644 --- a/doc/src/fix_manifoldforce.rst +++ b/doc/src/fix_manifoldforce.rst @@ -17,7 +17,9 @@ Syntax Examples """""""" -fix constrain all manifoldforce sphere 5.0 +.. code-block:: LAMMPS + + fix constrain all manifoldforce sphere 5.0 Description """"""""""" diff --git a/doc/src/fix_meso.rst b/doc/src/fix_meso.rst index f838fe9b5d..631061244b 100644 --- a/doc/src/fix_meso.rst +++ b/doc/src/fix_meso.rst @@ -16,7 +16,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all meso diff --git a/doc/src/fix_meso_move.rst b/doc/src/fix_meso_move.rst index 47a5dbd0e8..a1be27abfe 100644 --- a/doc/src/fix_meso_move.rst +++ b/doc/src/fix_meso_move.rst @@ -39,7 +39,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 boundary meso/move wiggle 3.0 0.0 0.0 1.0 units box fix 2 boundary meso/move rotate 0.0 0.0 0.0 0.0 0.0 1.0 5.0 @@ -107,7 +107,7 @@ Note that the *linear* style is identical to using the *variable* style with an :doc:`equal-style variable ` that uses the vdisplace() function. E.g. -.. parsed-literal:: +.. code-block:: LAMMPS variable V equal 10.0 variable x equal vdisplace(0.0,$V) @@ -135,13 +135,13 @@ Note that the *wiggle* style is identical to using the *variable* style with :doc:`equal-style variables ` that use the swiggle() and cwiggle() functions. E.g. -.. parsed-literal:: +.. code-block:: LAMMPS variable A equal 10.0 variable T equal 5.0 - variable omega equal 2.0\*PI/$T + variable omega equal 2.0*PI/$T variable x equal swiggle(0.0,$A,$T) - variable v equal v_omega\*($A-cwiggle(0.0,$A,$T)) + variable v equal v_omega*($A-cwiggle(0.0,$A,$T)) fix 1 boundary move variable v_x NULL NULL v_v NULL NULL The *rotate* style rotates particles around a rotation axis *R* = diff --git a/doc/src/fix_meso_stationary.rst b/doc/src/fix_meso_stationary.rst index 2ae11725fc..4c6b35245c 100644 --- a/doc/src/fix_meso_stationary.rst +++ b/doc/src/fix_meso_stationary.rst @@ -16,7 +16,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 boundary meso/stationary diff --git a/doc/src/fix_momentum.rst b/doc/src/fix_momentum.rst index 0a28aa0c26..6412ba8835 100644 --- a/doc/src/fix_momentum.rst +++ b/doc/src/fix_momentum.rst @@ -32,7 +32,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all momentum 1 linear 1 1 0 fix 1 all momentum 1 linear 1 1 1 rescale diff --git a/doc/src/fix_move.rst b/doc/src/fix_move.rst index 34e74e2688..e5aab1259f 100644 --- a/doc/src/fix_move.rst +++ b/doc/src/fix_move.rst @@ -39,7 +39,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 boundary move wiggle 3.0 0.0 0.0 1.0 units box fix 2 boundary move rotate 0.0 0.0 0.0 0.0 0.0 1.0 5.0 @@ -102,7 +102,7 @@ Note that the *linear* style is identical to using the *variable* style with an :doc:`equal-style variable ` that uses the vdisplace() function. E.g. -.. parsed-literal:: +.. code-block:: LAMMPS variable V equal 10.0 variable x equal vdisplace(0.0,$V) @@ -130,13 +130,13 @@ Note that the *wiggle* style is identical to using the *variable* style with :doc:`equal-style variables ` that use the swiggle() and cwiggle() functions. E.g. -.. parsed-literal:: +.. code-block:: LAMMPS variable A equal 10.0 variable T equal 5.0 - variable omega equal 2.0\*PI/$T + variable omega equal 2.0*PI/$T variable x equal swiggle(0.0,$A,$T) - variable v equal v_omega\*($A-cwiggle(0.0,$A,$T)) + variable v equal v_omega*($A-cwiggle(0.0,$A,$T)) fix 1 boundary move variable v_x NULL NULL v_v NULL NULL The *rotate* style rotates atoms around a rotation axis *R* = diff --git a/doc/src/fix_mscg.rst b/doc/src/fix_mscg.rst index 7f9f3fd046..81a59ad7ee 100644 --- a/doc/src/fix_mscg.rst +++ b/doc/src/fix_mscg.rst @@ -29,7 +29,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all mscg 1 fix 1 all mscg 1 range name A B diff --git a/doc/src/fix_mvv_dpd.rst b/doc/src/fix_mvv_dpd.rst index 3fb2fdd3d3..bdae316a13 100644 --- a/doc/src/fix_mvv_dpd.rst +++ b/doc/src/fix_mvv_dpd.rst @@ -27,7 +27,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all mvv/dpd fix 1 all mvv/dpd 0.5 diff --git a/doc/src/fix_neb.rst b/doc/src/fix_neb.rst index 97deca7688..308f8891c4 100644 --- a/doc/src/fix_neb.rst +++ b/doc/src/fix_neb.rst @@ -34,7 +34,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 active neb 10.0 fix 2 all neb 1.0 perp 1.0 end last diff --git a/doc/src/fix_neb_spin.rst b/doc/src/fix_neb_spin.rst index 6e1978df03..1f89a4b665 100644 --- a/doc/src/fix_neb_spin.rst +++ b/doc/src/fix_neb_spin.rst @@ -21,7 +21,9 @@ Syntax Examples """""""" -fix 1 active neb/spin 1.0 +.. code-block:: LAMMPS + + fix 1 active neb/spin 1.0 Description """"""""""" diff --git a/doc/src/fix_nh.rst b/doc/src/fix_nh.rst index 3f3c573e44..214ec9c3e9 100644 --- a/doc/src/fix_nh.rst +++ b/doc/src/fix_nh.rst @@ -84,7 +84,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nvt temp 300.0 300.0 100.0 fix 1 water npt temp 300.0 300.0 100.0 iso 0.0 0.0 1000.0 @@ -153,9 +153,9 @@ by the velocity/position update portion of the integration. via using an :doc:`immediate variable ` expression accessing the thermo property 'dt', which is the length of the time step. Example: -.. parsed-literal:: +.. code-block:: LAMMPS - fix 1 all nvt temp 300.0 300.0 $(100.0\*dt) + fix 1 all nvt temp 300.0 300.0 $(100.0*dt) ---------- @@ -437,11 +437,15 @@ style "temp" and "pressure", as if one of these sets of commands had been issued: For fix nvt: -compute fix-ID\_temp group-ID temp -.. parsed-literal:: +.. code-block:: LAMMPS + + compute fix-ID_temp group-ID temp + +For fix npt and fix nph: + +.. code-block:: LAMMPS - For fix npt and fix nph: compute fix-ID_temp all temp compute fix-ID_press all pressure fix-ID_temp diff --git a/doc/src/fix_nh_eff.rst b/doc/src/fix_nh_eff.rst index 1417453706..2d6b542edf 100644 --- a/doc/src/fix_nh_eff.rst +++ b/doc/src/fix_nh_eff.rst @@ -45,7 +45,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nvt/eff temp 300.0 300.0 0.1 fix 1 part npt/eff temp 300.0 300.0 0.1 iso 0.0 0.0 1.0 diff --git a/doc/src/fix_nh_uef.rst b/doc/src/fix_nh_uef.rst index 15dc43dc46..251b1675b9 100644 --- a/doc/src/fix_nh_uef.rst +++ b/doc/src/fix_nh_uef.rst @@ -32,7 +32,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix uniax_nvt all nvt/uef temp 400 400 100 erate 0.00001 -0.000005 fix biax_nvt all nvt/uef temp 400 400 100 erate 0.000005 0.000005 @@ -116,7 +116,7 @@ pressure (Pxx+Pyy)/2 will be controlled. This example command will control the total hydrostatic pressure under uniaxial tension: -.. parsed-literal:: +.. code-block:: LAMMPS fix f1 all npt/uef temp 0.7 0.7 0.5 iso 1 1 5 erate -0.5 -0.5 ext xyz @@ -124,7 +124,7 @@ This example command will control the average stress in compression directions, which would typically correspond to free surfaces under drawing with uniaxial tension: -.. parsed-literal:: +.. code-block:: LAMMPS fix f2 all npt/uef temp 0.7 0.7 0.5 iso 1 1 5 erate -0.5 -0.5 ext xy @@ -140,14 +140,14 @@ method. For example, the following commands will work: -.. parsed-literal:: +.. code-block:: LAMMPS fix f3 all npt/uef temp 0.7 0.7 0.5 x 1 1 5 y 1 1 5 erate -0.5 -0.5 fix f4 all npt/uef temp 0.7 0.7 0.5 z 1 1 5 erate 0.5 0.5 The following commands will not work: -.. parsed-literal:: +.. code-block:: LAMMPS fix f5 all npt/uef temp 0.7 0.7 0.5 x 1 1 5 z 1 1 5 erate -0.5 -0.5 fix f6 all npt/uef temp 0.7 0.7 0.5 x 1 1 5 z 2 2 5 erate 0.5 0.5 @@ -159,7 +159,7 @@ this, it creates its own computes of style "temp/uef" and "pressure/uef", as if one of these two sets of commands had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp group-ID temp/uef compute fix-ID_press group-ID pressure/uef fix-ID_temp diff --git a/doc/src/fix_nph_asphere.rst b/doc/src/fix_nph_asphere.rst index 814e8c18aa..c3f2904301 100644 --- a/doc/src/fix_nph_asphere.rst +++ b/doc/src/fix_nph_asphere.rst @@ -20,7 +20,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nph/asphere iso 0.0 0.0 1000.0 fix 2 all nph/asphere x 5.0 5.0 1000.0 @@ -61,7 +61,7 @@ This fix computes a temperature and pressure each timestep. To do this, the fix creates its own computes of style "temp/asphere" and "pressure", as if these commands had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp all temp/asphere compute fix-ID_press all pressure fix-ID_temp diff --git a/doc/src/fix_nph_body.rst b/doc/src/fix_nph_body.rst index 81689d3c30..d2d7542467 100644 --- a/doc/src/fix_nph_body.rst +++ b/doc/src/fix_nph_body.rst @@ -17,7 +17,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nph/body iso 0.0 0.0 1000.0 fix 2 all nph/body x 5.0 5.0 1000.0 @@ -58,7 +58,7 @@ This fix computes a temperature and pressure each timestep. To do this, the fix creates its own computes of style "temp/body" and "pressure", as if these commands had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp all temp/body compute fix-ID_press all pressure fix-ID_temp diff --git a/doc/src/fix_nph_sphere.rst b/doc/src/fix_nph_sphere.rst index 2a01b1690c..d71593e4b1 100644 --- a/doc/src/fix_nph_sphere.rst +++ b/doc/src/fix_nph_sphere.rst @@ -26,7 +26,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nph/sphere iso 0.0 0.0 1000.0 fix 2 all nph/sphere x 5.0 5.0 1000.0 @@ -74,7 +74,7 @@ This fix computes a temperature and pressure each timestep. To do this, the fix creates its own computes of style "temp/sphere" and "pressure", as if these commands had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp all temp/sphere compute fix-ID_press all pressure fix-ID_temp diff --git a/doc/src/fix_nphug.rst b/doc/src/fix_nphug.rst index fa5752b41a..fb64966291 100644 --- a/doc/src/fix_nphug.rst +++ b/doc/src/fix_nphug.rst @@ -44,7 +44,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix myhug all nphug temp 1.0 1.0 10.0 z 40.0 40.0 70.0 fix myhug all nphug temp 1.0 1.0 10.0 iso 40.0 40.0 70.0 drag 200.0 tchain 1 pchain 0 @@ -120,7 +120,7 @@ This fix computes a temperature and pressure at each timestep. To do this, the fix creates its own computes of style "temp" and "pressure", as if one of these two sets of commands had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp group-ID temp compute fix-ID_press group-ID pressure fix-ID_temp diff --git a/doc/src/fix_npt_asphere.rst b/doc/src/fix_npt_asphere.rst index 41766a0130..644e10ee1e 100644 --- a/doc/src/fix_npt_asphere.rst +++ b/doc/src/fix_npt_asphere.rst @@ -20,7 +20,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all npt/asphere temp 300.0 300.0 100.0 iso 0.0 0.0 1000.0 fix 2 all npt/asphere temp 300.0 300.0 100.0 x 5.0 5.0 1000.0 @@ -69,7 +69,7 @@ This fix computes a temperature and pressure each timestep. To do this, the fix creates its own computes of style "temp/asphere" and "pressure", as if these commands had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp all temp/asphere compute fix-ID_press all pressure fix-ID_temp diff --git a/doc/src/fix_npt_body.rst b/doc/src/fix_npt_body.rst index aab32f664c..1a6caebb79 100644 --- a/doc/src/fix_npt_body.rst +++ b/doc/src/fix_npt_body.rst @@ -17,7 +17,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all npt/body temp 300.0 300.0 100.0 iso 0.0 0.0 1000.0 fix 2 all npt/body temp 300.0 300.0 100.0 x 5.0 5.0 1000.0 @@ -66,7 +66,7 @@ This fix computes a temperature and pressure each timestep. To do this, the fix creates its own computes of style "temp/body" and "pressure", as if these commands had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp all temp/body compute fix-ID_press all pressure fix-ID_temp diff --git a/doc/src/fix_npt_cauchy.rst b/doc/src/fix_npt_cauchy.rst index 936369195d..d548002f0e 100644 --- a/doc/src/fix_npt_cauchy.rst +++ b/doc/src/fix_npt_cauchy.rst @@ -54,7 +54,9 @@ Syntax Examples """""""" -fix 1 water npt/cauchy temp 300.0 300.0 100.0 iso 0.0 0.0 1000.0 +.. code-block:: LAMMPS + + fix 1 water npt/cauchy temp 300.0 300.0 100.0 iso 0.0 0.0 1000.0 Description """"""""""" @@ -379,7 +381,7 @@ This fix compute a temperature and pressure each timestep. To do this, the fix creates its own computes of style "temp" and "pressure", as if one of these sets of commands had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp all temp compute fix-ID_press all pressure fix-ID_temp diff --git a/doc/src/fix_npt_sphere.rst b/doc/src/fix_npt_sphere.rst index 3d16e717ca..48fdbd90fb 100644 --- a/doc/src/fix_npt_sphere.rst +++ b/doc/src/fix_npt_sphere.rst @@ -27,7 +27,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all npt/sphere temp 300.0 300.0 100.0 iso 0.0 0.0 1000.0 fix 2 all npt/sphere temp 300.0 300.0 100.0 x 5.0 5.0 1000.0 @@ -82,7 +82,7 @@ This fix computes a temperature and pressure each timestep. To do this, the fix creates its own computes of style "temp/sphere" and "pressure", as if these commands had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp all temp/sphere compute fix-ID_press all pressure fix-ID_temp diff --git a/doc/src/fix_nve.rst b/doc/src/fix_nve.rst index 9ddac818bc..367cdd5552 100644 --- a/doc/src/fix_nve.rst +++ b/doc/src/fix_nve.rst @@ -25,7 +25,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nve diff --git a/doc/src/fix_nve_asphere.rst b/doc/src/fix_nve_asphere.rst index 29d9941029..deda3ded70 100644 --- a/doc/src/fix_nve_asphere.rst +++ b/doc/src/fix_nve_asphere.rst @@ -19,7 +19,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nve/asphere diff --git a/doc/src/fix_nve_asphere_noforce.rst b/doc/src/fix_nve_asphere_noforce.rst index 699749a969..675e3b6684 100644 --- a/doc/src/fix_nve_asphere_noforce.rst +++ b/doc/src/fix_nve_asphere_noforce.rst @@ -16,7 +16,9 @@ Syntax Examples """""""" -fix 1 all nve/asphere/noforce +.. code-block:: LAMMPS + + fix 1 all nve/asphere/noforce Description """"""""""" diff --git a/doc/src/fix_nve_awpmd.rst b/doc/src/fix_nve_awpmd.rst index a57423282e..07f98a6a34 100644 --- a/doc/src/fix_nve_awpmd.rst +++ b/doc/src/fix_nve_awpmd.rst @@ -16,7 +16,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nve/awpmd diff --git a/doc/src/fix_nve_body.rst b/doc/src/fix_nve_body.rst index 2cb4e1097d..96134e2974 100644 --- a/doc/src/fix_nve_body.rst +++ b/doc/src/fix_nve_body.rst @@ -16,7 +16,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nve/body diff --git a/doc/src/fix_nve_dot.rst b/doc/src/fix_nve_dot.rst index 8960fbe0bf..a7018a337e 100644 --- a/doc/src/fix_nve_dot.rst +++ b/doc/src/fix_nve_dot.rst @@ -16,7 +16,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nve/dot diff --git a/doc/src/fix_nve_eff.rst b/doc/src/fix_nve_eff.rst index 2d21bcc60f..57cfc6cd14 100644 --- a/doc/src/fix_nve_eff.rst +++ b/doc/src/fix_nve_eff.rst @@ -16,7 +16,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nve/eff diff --git a/doc/src/fix_nve_limit.rst b/doc/src/fix_nve_limit.rst index 5b83e1ab63..d600eb4e66 100644 --- a/doc/src/fix_nve_limit.rst +++ b/doc/src/fix_nve_limit.rst @@ -17,7 +17,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nve/limit 0.1 diff --git a/doc/src/fix_nve_line.rst b/doc/src/fix_nve_line.rst index 1515899631..208759116b 100644 --- a/doc/src/fix_nve_line.rst +++ b/doc/src/fix_nve_line.rst @@ -16,7 +16,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nve/line diff --git a/doc/src/fix_nve_manifold_rattle.rst b/doc/src/fix_nve_manifold_rattle.rst index df5555efa4..3e8ee059a0 100644 --- a/doc/src/fix_nve_manifold_rattle.rst +++ b/doc/src/fix_nve_manifold_rattle.rst @@ -27,7 +27,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nve/manifold/rattle 1e-4 10 sphere 5.0 fix step all nve/manifold/rattle 1e-8 100 ellipsoid 2.5 2.5 5.0 every 25 @@ -55,7 +55,7 @@ write a script. The manifold args may be equal-style variables, like so: -.. parsed-literal:: +.. code-block:: LAMMPS variable R equal "ramp(5.0,3.0)" fix shrink_sphere all nve/manifold/rattle 1e-4 10 sphere v_R diff --git a/doc/src/fix_nve_noforce.rst b/doc/src/fix_nve_noforce.rst index da5f122df5..0bc2624ce2 100644 --- a/doc/src/fix_nve_noforce.rst +++ b/doc/src/fix_nve_noforce.rst @@ -16,7 +16,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 3 wall nve/noforce diff --git a/doc/src/fix_nve_sphere.rst b/doc/src/fix_nve_sphere.rst index fc34785ae1..c92605aa28 100644 --- a/doc/src/fix_nve_sphere.rst +++ b/doc/src/fix_nve_sphere.rst @@ -31,7 +31,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nve/sphere fix 1 all nve/sphere update dipole diff --git a/doc/src/fix_nve_spin.rst b/doc/src/fix_nve_spin.rst index 8167c408d9..4ba1f945da 100644 --- a/doc/src/fix_nve_spin.rst +++ b/doc/src/fix_nve_spin.rst @@ -23,7 +23,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 3 all nve/spin lattice moving fix 1 all nve/spin lattice frozen @@ -64,7 +64,7 @@ info. To use the spin algorithm, it is necessary to define a map with the atom\_modify command. Typically, by adding the command: -.. parsed-literal:: +.. code-block:: LAMMPS atom_modify map array diff --git a/doc/src/fix_nve_tri.rst b/doc/src/fix_nve_tri.rst index 7fd325f6af..0b0a48249a 100644 --- a/doc/src/fix_nve_tri.rst +++ b/doc/src/fix_nve_tri.rst @@ -16,7 +16,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nve/tri diff --git a/doc/src/fix_nvk.rst b/doc/src/fix_nvk.rst index 5b88a3e7c5..aafeb1fde7 100644 --- a/doc/src/fix_nvk.rst +++ b/doc/src/fix_nvk.rst @@ -16,7 +16,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nvk diff --git a/doc/src/fix_nvt_asphere.rst b/doc/src/fix_nvt_asphere.rst index 46b3354f53..4db500e279 100644 --- a/doc/src/fix_nvt_asphere.rst +++ b/doc/src/fix_nvt_asphere.rst @@ -20,7 +20,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nvt/asphere temp 300.0 300.0 100.0 fix 1 all nvt/asphere temp 300.0 300.0 100.0 drag 0.2 @@ -53,7 +53,7 @@ This fix computes a temperature each timestep. To do this, the fix creates its own compute of style "temp/asphere", as if this command had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp group-ID temp/asphere diff --git a/doc/src/fix_nvt_body.rst b/doc/src/fix_nvt_body.rst index 0299d5cbca..37dc4d1f0b 100644 --- a/doc/src/fix_nvt_body.rst +++ b/doc/src/fix_nvt_body.rst @@ -17,7 +17,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nvt/body temp 300.0 300.0 100.0 fix 1 all nvt/body temp 300.0 300.0 100.0 drag 0.2 @@ -50,7 +50,7 @@ This fix computes a temperature each timestep. To do this, the fix creates its own compute of style "temp/body", as if this command had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp group-ID temp/body diff --git a/doc/src/fix_nvt_manifold_rattle.rst b/doc/src/fix_nvt_manifold_rattle.rst index 1e4200dd0f..f7a14fa266 100644 --- a/doc/src/fix_nvt_manifold_rattle.rst +++ b/doc/src/fix_nvt_manifold_rattle.rst @@ -32,7 +32,9 @@ Syntax Examples """""""" -fix 1 all nvt/manifold/rattle 1e-4 10 cylinder 3.0 temp 1.0 1.0 10.0 +.. code-block:: LAMMPS + + fix 1 all nvt/manifold/rattle 1e-4 10 cylinder 3.0 temp 1.0 1.0 10.0 Description """"""""""" diff --git a/doc/src/fix_nvt_sllod.rst b/doc/src/fix_nvt_sllod.rst index 1e61055cfc..e8f4b840d1 100644 --- a/doc/src/fix_nvt_sllod.rst +++ b/doc/src/fix_nvt_sllod.rst @@ -23,7 +23,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nvt/sllod temp 300.0 300.0 100.0 fix 1 all nvt/sllod temp 300.0 300.0 100.0 drag 0.2 @@ -85,7 +85,7 @@ This fix computes a temperature each timestep. To do this, the fix creates its own compute of style "temp/deform", as if this command had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp group-ID temp/deform diff --git a/doc/src/fix_nvt_sllod_eff.rst b/doc/src/fix_nvt_sllod_eff.rst index 139b5762d5..f2b3edd366 100644 --- a/doc/src/fix_nvt_sllod_eff.rst +++ b/doc/src/fix_nvt_sllod_eff.rst @@ -17,7 +17,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nvt/sllod/eff temp 300.0 300.0 0.1 fix 1 all nvt/sllod/eff temp 300.0 300.0 0.1 drag 0.2 diff --git a/doc/src/fix_nvt_sphere.rst b/doc/src/fix_nvt_sphere.rst index d7c4634228..f9d5fd954f 100644 --- a/doc/src/fix_nvt_sphere.rst +++ b/doc/src/fix_nvt_sphere.rst @@ -27,7 +27,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all nvt/sphere temp 300.0 300.0 100.0 fix 1 all nvt/sphere temp 300.0 300.0 100.0 disc @@ -67,7 +67,7 @@ This fix computes a temperature each timestep. To do this, the fix creates its own compute of style "temp/sphere", as if this command had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp group-ID temp/sphere diff --git a/doc/src/fix_oneway.rst b/doc/src/fix_oneway.rst index ade25e39ac..6444776a6b 100644 --- a/doc/src/fix_oneway.rst +++ b/doc/src/fix_oneway.rst @@ -19,7 +19,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix ions oneway 10 semi -x fix all oneway 1 left -z diff --git a/doc/src/fix_orient.rst b/doc/src/fix_orient.rst index 72bdc57bb7..cf85a253f7 100644 --- a/doc/src/fix_orient.rst +++ b/doc/src/fix_orient.rst @@ -22,7 +22,7 @@ fix orient/bcc command Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix gb all orient/fcc 0 1 4.032008 0.001 0.25 0.75 xi.vec chi.vec fix gb all orient/bcc 0 1 2.882 0.001 0.25 0.75 ngb.left ngb.right diff --git a/doc/src/fix_phonon.rst b/doc/src/fix_phonon.rst index df31c2530e..43178d6958 100644 --- a/doc/src/fix_phonon.rst +++ b/doc/src/fix_phonon.rst @@ -41,7 +41,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all phonon 20 5000 200000 map.in LJ1D sysdim 1 fix 1 all phonon 20 5000 200000 map.in EAM3D diff --git a/doc/src/fix_pimd.rst b/doc/src/fix_pimd.rst index bdf4734dd0..5bc7b75c90 100644 --- a/doc/src/fix_pimd.rst +++ b/doc/src/fix_pimd.rst @@ -26,7 +26,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all pimd method nmpimd fmass 1.0 sp 2.0 temp 300.0 nhc 4 @@ -128,14 +128,14 @@ To run a PIMD simulation with M quasi-beads in each ring polymer using N MPI tasks for each partition's domain-decomposition, you would use P = MxN processors (cores) and run the simulation as follows: -.. parsed-literal:: +.. code-block:: bash mpirun -np P lmp_mpi -partition MxN -in script Note that in the LAMMPS input script for a multi-partition simulation, it is often very useful to define a :doc:`uloop-style variable ` such as -.. parsed-literal:: +.. code-block:: LAMMPS variable ibead uloop M pad @@ -143,7 +143,7 @@ where M is the number of quasi-beads (partitions) used in the calculation. The uloop variable can then be used to manage I/O related tasks for each of the partitions, e.g. -.. parsed-literal:: +.. code-block:: LAMMPS dump dcd all dcd 10 system_${ibead}.dcd restart 1000 system_${ibead}.restart1 system_${ibead}.restart2 @@ -163,7 +163,7 @@ To avoid this, users can simply initialize velocities with different random number seeds assigned to each partition, as defined by the uloop variable, e.g. -.. parsed-literal:: +.. code-block:: LAMMPS velocity all create 300.0 1234${ibead} rot yes dist gaussian diff --git a/doc/src/fix_planeforce.rst b/doc/src/fix_planeforce.rst index e83cbc84b4..a3df6bff14 100644 --- a/doc/src/fix_planeforce.rst +++ b/doc/src/fix_planeforce.rst @@ -17,7 +17,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix hold boundary planeforce 1.0 0.0 0.0 diff --git a/doc/src/fix_plumed.rst b/doc/src/fix_plumed.rst index 7f033c3f87..32472c829c 100644 --- a/doc/src/fix_plumed.rst +++ b/doc/src/fix_plumed.rst @@ -22,7 +22,9 @@ Syntax Examples """""""" -fix pl all plumed all plumed plumedfile plumed.dat outfile p.log +.. code-block:: LAMMPS + + fix pl all plumed all plumed plumedfile plumed.dat outfile p.log Description """"""""""" diff --git a/doc/src/fix_poems.rst b/doc/src/fix_poems.rst index c1ef3f8a15..b53252668a 100644 --- a/doc/src/fix_poems.rst +++ b/doc/src/fix_poems.rst @@ -22,7 +22,7 @@ Syntax: Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 3 fluid poems group clump1 clump2 clump3 fix 3 fluid poems file cluster.list diff --git a/doc/src/fix_pour.rst b/doc/src/fix_pour.rst index 7d9e4c33c9..ce89f6a227 100644 --- a/doc/src/fix_pour.rst +++ b/doc/src/fix_pour.rst @@ -63,7 +63,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 3 all pour 1000 2 29494 region myblock fix 2 all pour 10000 1 19985583 region disk vol 0.33 100 rate 1.0 diam range 0.9 1.1 diff --git a/doc/src/fix_press_berendsen.rst b/doc/src/fix_press_berendsen.rst index b38db2564d..a5dc37965c 100644 --- a/doc/src/fix_press_berendsen.rst +++ b/doc/src/fix_press_berendsen.rst @@ -30,7 +30,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all press/berendsen iso 0.0 0.0 1000.0 fix 2 all press/berendsen aniso 0.0 0.0 1000.0 dilate partial @@ -171,7 +171,7 @@ This fix computes a temperature and pressure each timestep. To do this, the fix creates its own computes of style "temp" and "pressure", as if these commands had been issued: -.. parsed-literal:: +.. code-block:: LAMMPS compute fix-ID_temp group-ID temp compute fix-ID_press group-ID pressure fix-ID_temp diff --git a/doc/src/fix_print.rst b/doc/src/fix_print.rst index e87eb26f4c..e3d64de8e7 100644 --- a/doc/src/fix_print.rst +++ b/doc/src/fix_print.rst @@ -28,7 +28,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix extra all print 100 "Coords of marker atom = $x $y $z" fix extra all print 100 "Coords of marker atom = $x $y $z" file coord.txt @@ -54,7 +54,7 @@ and logfreq() and stride() math functions for :doc:`equal-style variables ` command * propel/self = style name of this fix command @@ -20,7 +22,7 @@ fix ID group-ID propel/self mode magnitude keyword values ... Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix active_group all propel/self velocity 1.0 fix constant_velocity all viscous 1.0 diff --git a/doc/src/fix_property_atom.rst b/doc/src/fix_property_atom.rst index b78eb1c324..63cdbd0701 100644 --- a/doc/src/fix_property_atom.rst +++ b/doc/src/fix_property_atom.rst @@ -35,7 +35,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all property/atom mol fix 1 all property/atom i_myflag1 i_myflag2 @@ -148,7 +148,7 @@ passing it the fix-ID of this fix. Thus these commands: -.. parsed-literal:: +.. code-block:: LAMMPS fix prop all property/atom mol d_flag read_data data.txt fix prop NULL Molecules @@ -177,11 +177,11 @@ Another way of initializing the new properties is via the defined for every set of 10 atoms, based on their atom-IDs, these commands could be used: -.. parsed-literal:: +.. code-block:: LAMMPS fix prop all property/atom mol variable cluster atom ((id-1)/10)+1 - set atom \* mol v_cluster + set atom * mol v_cluster The :doc:`atom-style variable ` will create values for atoms with IDs 31,32,33,...40 that are 4.0,4.1,4.2,...,4.9. When the @@ -204,7 +204,7 @@ their values. This means that the values can be output via the :doc:`dump custo For example, these commands will output two new properties to a custom dump file: -.. parsed-literal:: +.. code-block:: LAMMPS fix prop all property/atom i_flag1 d_flag2 compute 1 all property/atom i_flag1 d_flag2 @@ -233,7 +233,7 @@ for regular TIP4P water, where water oxygen is atom type 1 and water hydrogen is atom type 2, the following lines of input script convert this to using per-atom masses: -.. parsed-literal:: +.. code-block:: LAMMPS fix Isotopes all property/atom rmass ghost yes set type 1 mass 15.9994 @@ -246,7 +246,7 @@ existing data file and just add this *Isotopes* section with one line per atom containing atom-ID and mass. Either way, the extended data file can be read back with: -.. parsed-literal:: +.. code-block:: LAMMPS fix Isotopes all property/atom rmass ghost yes read_data tip4p-isotopes.data fix Isotopes NULL Isotopes @@ -256,7 +256,7 @@ and the second to the name of the section. The following input script code will now change the first 100 water molecules in this example to heavy water: -.. parsed-literal:: +.. code-block:: LAMMPS group hwat id 2:300:3 group hwat id 3:300:3 diff --git a/doc/src/fix_python_invoke.rst b/doc/src/fix_python_invoke.rst index c6f96ef4d6..0144e3c4f7 100644 --- a/doc/src/fix_python_invoke.rst +++ b/doc/src/fix_python_invoke.rst @@ -23,7 +23,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS python post_force_callback here """ from lammps import lammps diff --git a/doc/src/fix_python_move.rst b/doc/src/fix_python_move.rst index 4ea6f14e94..af32106806 100644 --- a/doc/src/fix_python_move.rst +++ b/doc/src/fix_python_move.rst @@ -15,7 +15,7 @@ pymodule.CLASS = use class **CLASS** in module/file **pymodule** to compute how Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all python/move py_nve.NVE fix 1 all python/move py_nve.NVE_OPT @@ -39,9 +39,9 @@ performance penalty can be limited through effective use of NumPy. The python module file has to start with the following code: -.. parsed-literal:: +.. code-block:: python - from __future_\_ import print_function + from __future__ import print_function import lammps import ctypes import traceback diff --git a/doc/src/fix_qeq.rst b/doc/src/fix_qeq.rst index f205d1fe9a..418fc383b4 100644 --- a/doc/src/fix_qeq.rst +++ b/doc/src/fix_qeq.rst @@ -41,7 +41,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all qeq/point 1 10 1.0e-6 200 param.qeq1 fix 1 qeq qeq/shielded 1 8 1.0e-6 100 param.qeq2 diff --git a/doc/src/fix_qeq_comb.rst b/doc/src/fix_qeq_comb.rst index 34c40b6184..012f524b9e 100644 --- a/doc/src/fix_qeq_comb.rst +++ b/doc/src/fix_qeq_comb.rst @@ -28,7 +28,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 surface qeq/comb 10 0.0001 diff --git a/doc/src/fix_qeq_reax.rst b/doc/src/fix_qeq_reax.rst index af3dfeba1b..854dc01991 100644 --- a/doc/src/fix_qeq_reax.rst +++ b/doc/src/fix_qeq_reax.rst @@ -27,7 +27,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c fix 1 all qeq/reax 1 0.0 10.0 1.0e-6 param.qeq diff --git a/doc/src/fix_qmmm.rst b/doc/src/fix_qmmm.rst index a7670cee35..889004b9f8 100644 --- a/doc/src/fix_qmmm.rst +++ b/doc/src/fix_qmmm.rst @@ -16,7 +16,9 @@ Syntax Examples """""""" -fix 1 qmol qmmm +.. code-block:: LAMMPS + + fix 1 qmol qmmm Description """"""""""" diff --git a/doc/src/fix_reaxc_bonds.rst b/doc/src/fix_reaxc_bonds.rst index 7dcf8eda8e..01b1a8dadf 100644 --- a/doc/src/fix_reaxc_bonds.rst +++ b/doc/src/fix_reaxc_bonds.rst @@ -21,7 +21,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all reax/c/bonds 100 bonds.reaxc diff --git a/doc/src/fix_reaxc_species.rst b/doc/src/fix_reaxc_species.rst index 8d22434a95..96ad89d7fe 100644 --- a/doc/src/fix_reaxc_species.rst +++ b/doc/src/fix_reaxc_species.rst @@ -35,7 +35,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all reax/c/species 10 10 100 species.out fix 1 all reax/c/species 1 2 20 species.out cutoff 1 1 0.40 cutoff 1 2 0.55 diff --git a/doc/src/fix_recenter.rst b/doc/src/fix_recenter.rst index 4a7572f63e..88cdc8d227 100644 --- a/doc/src/fix_recenter.rst +++ b/doc/src/fix_recenter.rst @@ -25,7 +25,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 all recenter 0.0 0.5 0.0 fix 1 all recenter INIT INIT NULL diff --git a/doc/src/fix_rhok.rst b/doc/src/fix_rhok.rst index 41b6db6e60..089c96dd50 100644 --- a/doc/src/fix_rhok.rst +++ b/doc/src/fix_rhok.rst @@ -15,7 +15,7 @@ fix rhok command Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix bias all rhok 16 0 0 4.0 16.0 fix 1 all npt temp 0.8 0.8 4.0 z 2.2 2.2 8.0 diff --git a/doc/src/fix_rigid_meso.rst b/doc/src/fix_rigid_meso.rst index 3375c46ff3..eec2686be7 100644 --- a/doc/src/fix_rigid_meso.rst +++ b/doc/src/fix_rigid_meso.rst @@ -43,7 +43,7 @@ Syntax Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS fix 1 ellipsoid rigid/meso single fix 1 rods rigid/meso molecule