diff --git a/doc/Section_errors.html b/doc/Section_errors.html index 159aeaf9a7..911a2cba91 100644 --- a/doc/Section_errors.html +++ b/doc/Section_errors.html @@ -1000,15 +1000,9 @@ triclinic.
Self-explanatory. -
Compute erotate/asphere requires extended particles +
Compute ID for compute heat/flux does not exist -
This quantity can only be calculated for particles with a shape -setting. - -
Compute temp/asphere requires extended particles - -
This quantity can only be calculated for particles with a shape -setting. +
Self-explanatory.
Compute ID for compute reduce does not exist @@ -1057,6 +1051,11 @@ since those atoms are not in the neighbor list.
Damage is a Peridynamic-specific metric. It requires you to be running a Peridynamics simulation. +
Compute does not allow an extra compute to be reset + +
This is an internal LAMMPS error. Please report it to the +developers. +
Compute erotate/asphere cannot be used with atom attributes diameter or rmass
These attributes override the shape and mass settings, so cannot be @@ -1066,6 +1065,10 @@ used.
An atom style that defines these attributes must be used. +
Compute erotate/asphere requires extended particles + +
This compute cannot be used with point paritlces. +
Compute erotate/sphere requires atom attribute omega
An atom style that defines this attribute must be used. @@ -1082,6 +1085,14 @@ used.
Self-explanatory. +
Compute heat/flux compute ID does not compute pe/atom + +
Self-explanatory. + +
Compute heat/flux requires ghost atoms store velocity + +
An atom style that stores this, like atom_style dpd, must be used. +
Compute pe must use group all
Energies computed by potentials (pair, bond, etc) are computed on all @@ -1092,7 +1103,7 @@ atoms.
Virial contributions computed by potentials (pair, bond, etc) are computed on all atoms. -
Compute pressure temp ID does not compute temperature +
Compute pressure temperature ID does not compute temperature
The compute ID assigned to a pressure computation must compute temperature. @@ -1138,11 +1149,11 @@ used.
An atom style that defines these attributes must be used. -
Compute temp/partial cannot use vz for 2d systems +
Compute temp/asphere requires extended particles -
Self-explanatory. +
This compute cannot be used with point paritlces. -
Compute temp/profile cannot use vz for 2d systems +
Compute temp/partial cannot use vz for 2d systemx
Self-explanatory. @@ -1150,6 +1161,10 @@ used.
Self-explanatory. +
Compute temp/profile cannot use vz for 2d systemx + +
Self-explanatory. +
Compute temp/sphere requires atom attribute omega
An atom style that defines this attribute must be used. @@ -1222,7 +1237,11 @@ temperature is 0.0.
Self-explanatory. -
Could not find compute pressure temp ID +
Could not find compute heat/flux compute ID + +
Self-explanatory. + +
Could not find compute pressure temperature ID
The compute ID for calculating temperature does not exist. @@ -1230,10 +1249,6 @@ temperature is 0.0.
Self-explanatory. -
Could not find group delete ID - -
Self-explanatory. -
Could not find delete_atoms group ID
Group ID used in the delete_atoms command does not exist. @@ -1295,10 +1310,14 @@ does not exist.
The compute ID for computing pressure does not exist. -
Could not find fix_modify temp ID +
Could not find fix_modify temperature ID
The compute ID for computing temperature does not exist. +
Could not find group delete group ID + +
Self-explanatory. +
Could not find set group ID
Group ID specified in set command does not exist. @@ -1325,12 +1344,12 @@ quantity does not exist.
Fix ID specified in thermo_style command does not exist. -
Could not find thermo_modify press ID +
Could not find thermo_modify pressure ID
The compute ID needed by thermo style custom to compute pressure does not exist. -
Could not find thermo_modify temp ID +
Could not find thermo_modify temperature ID
The compute ID needed by thermo style custom to compute temperature does not exist. @@ -1343,7 +1362,7 @@ not exist.
A group ID used in the velocity command does not exist. -
Could not find velocity temp ID +
Could not find velocity temperature ID
The compute ID needed by the velocity command to compute temperature does not exist. @@ -2000,6 +2019,11 @@ error occurs, it is likely a bug, so send an email to the
Cannot use the rdf fix unless a pair style with a cutoff has been defined. +
Fix reax/bonds numbonds > nsbmax_most + +
The limit of the number of bonds expected by the ReaxFF force field +was exceeded. +
Fix recenter group has no atoms
Self-explanatory. @@ -2060,10 +2084,6 @@ details.
Self-explanatory. -
Invalid random number seed in fix ttm command - -
Random number seed must be > 0. -
Fix ttm v_0 must be >= 0.0
Self-explanatory. @@ -2098,7 +2118,7 @@ this fix.
The compute ID assigned to the fix must compute pressure. -
Fix_modify temp ID does not compute temperature +
Fix_modify temperature ID does not compute temperature
The compute ID assigned to the fix must compute temperature. @@ -2340,6 +2360,11 @@ simulation box.
Eigensolve for rigid body was not sufficiently accurate. +
Invalid REAX atom type + +
There is a mis-match between LAMMPS atom types and the elements +listed in the ReaxFF force field file. +
Invalid angle style
The choice of angle style is unknown. @@ -2545,6 +2570,10 @@ the command you are using to launch LAMMPS.
Atom style does not allow dihedrals. +
Invalid density in Atoms section of data file + +
Density value cannot be <= 0.0. +
Invalid dihedral style
The choice of dihedral style is unknown. @@ -2593,6 +2622,11 @@ to be written by each processor.
The fix is not recognized. +
Invalid fix box/relax command for a 2d simulation + +
Fix box/relax styles involving the z dimension cannot be used in +a 2d simulation. +
Invalid fix nph command for a 2d simulation
Cannot use style xy, yz, or xz for a 2d simulation. @@ -2738,6 +2772,10 @@ kspace, etc.
Radius must be >= 0.0. +
Invalid random number seed in fix ttm command + +
Random number seed must be > 0. +
Invalid random number seed in set command
Random number seed must be > 0. @@ -3453,18 +3491,23 @@ not be invoked by bond_style quartic.
Pair style does not support compute group/group -

The pair_style does not have a single() function, so it cannot be -invokded by the compute group/group command. -

+
The pair_style does not have a single() function, so it cannot be +invokded by the compute group/group command. + +
Pair style does not support compute heat/flux + +
The pair style does not have a single() function, so it can +not be invoked by compute heat/flux. +
Pair style does not support fix bond/swap -

The pair_style does not have a single() function, so it cannot be -invokded by the fix bond/swap command. -

+
The pair style does not have a single() function, so it can +not be invoked by fix bond/swap. +
Pair style does not support pair_write -
The pair style does not have a single() function, so it cannot be -invoked by the pair_write command. +
The pair style does not have a single() function, so it can +not be invoked by pair write.
Pair style does not support rRESPA inner/middle/outer @@ -3619,6 +3662,10 @@ needed entry.
The compute ID needed to compute pressure for the fix does not exist. +
Pressure ID for fix modify does not exist + +
Self-explanatory. +
Pressure ID for fix nph does not exist
The compute ID needed to compute pressure for the fix does not @@ -3639,10 +3686,6 @@ exist.
The compute ID needed to compute pressure for thermodynamics does not exist. -
Pressure ID for fix modify does not exist - -
Self-explanatory. -
Proc grid in z != 1 for 2d simulation
There cannot be more than 1 processor in the z dimension of a 2d @@ -3845,29 +3888,30 @@ fix group.
Self-explanatory. -
Temp ID for fix bond/swap does not exist +
Temper command before simulation box is defined + +
The temper command cannot be used before a read_data, read_restart, or +create_box command. + +
Temperature ID for fix bond/swap does not exist
Self-explanatory.
Temperature ID for fix box/relax does not exist -
The compute ID needed to compute temperature for the fix does not -exist. +
Self-explanatory.
Temperature ID for fix nph does not exist -
The compute ID needed to compute temperature for the fix does not -exist. +
Self-explanatory.
Temperature ID for fix npt does not exist -
The compute ID needed to compute temperature for the fix does not -exist. +
Self-explanatory.
Temperature ID for fix nvt does not exist -
The compute ID needed to compute temperature for the fix does not -exist. +
Self-explanatory.
Temperature ID for fix press/berendsen does not exist @@ -3879,13 +3923,7 @@ exist.
Temperature ID for fix temp/rescale does not exist -
The compute ID needed to compute temperature for the fix does not -exist. - -
Temper command before simulation box is defined - -
The temper command cannot be used before a read_data, read_restart, or -create_box command. +
Self-explanatory.
Temperature for fix nvt/sllod does not have a bias @@ -3976,11 +4014,11 @@ is not computing this quantity.
Cannot use thermo_modify to set this parameter since the thermo_style is not computing this quantity. -
Thermo_modify press ID does not compute pressure +
Thermo_modify pressure ID does not compute pressure
The specified compute ID does not compute pressure. -
Thermo_modify temp ID does not compute temperature +
Thermo_modify temperature ID does not compute temperature
The specified compute ID does not compute temperature. @@ -4202,7 +4240,7 @@ or create_box command.
Self-explanatory. -
Velocity temp ID does not compute temperature +
Velocity temperature ID does not compute temperature
The compute ID given to the velocity command must compute temperature. @@ -4238,6 +4276,18 @@ read_restart, or create_box command.
See the doc page for fix bond/break for more info on this restriction. +
Compute cna/atom cutoff may be too large to find ghost atom neighbors + +
The neighbor cutoff used may not encompass enough ghost atoms +to perform this operation correctly. + +
Computing temperature of portions of rigid bodies + +
The group defined by the temperature compute does not encompass all +the atoms in one or more rigid bodies, so the change in +degrees-of-freedom for the atoms in those partial rigid bodies will +not be accounted for. +
Created bonds will not create angles, dihedrals, or impropers
See the doc page for fix bond/create for more info on this @@ -4433,24 +4483,19 @@ you ran on the same # of processors.
Restart file used different boundary settings, using restart file values -

Your input script cannot change these settings in the restart file. -

+
Your input script cannot change these restart file settings. +
Restart file used different newton bond setting, using restart file value -

Your input script cannot change this setting in the restart file. -

+
The restart file value will override the setting in the input script. +
Restart file used different newton pair setting, using input script value -

Your input script can change this setting in the restart file, but you -may not wish to do so. -

+
The input script value will override the setting in the restart file. +
Restart file version does not match LAMMPS version -
The version of LAMMPS that wrote the restart file does not match the -version of LAMMPS that is reading the restart file. Generally this -shouldn't be a problem, since restart file formats won't change very -often if at all. But if they do, the code will probably crash trying -to read the file. Versions of LAMMPS are specified by a date. +
This may cause problems when reading the restart file.
Shake determinant < 0.0 @@ -4482,6 +4527,11 @@ all atoms. Since NPT computes a global pressure, the kinetic energy contribution from the temperature is assumed to also be for all atoms. Thus the pressure used by NPT could be inaccurate. +
Temperature for fix modify is not for group all + +
The temperature compute is being used with a pressure calculation +which does operate on group all, so this may be inconsistent. +
Temperature for thermo pressure is not for group all
User-assigned temperature to thermo via the thermo_modify command does @@ -4490,10 +4540,20 @@ pressure, the kinetic energy contribution from the temperature is assumed to also be for all atoms. Thus the pressure printed by thermo could be inaccurate. +
Too many common neighbors in CNA %d times + +
More than the maximum # of neighbors was found multiple times. This +was unexpected. +
Too many inner timesteps in fix ttm
Self-explanatory. +
Too many neighbors in CNA for %d atoms + +
More than the maximum # of neighbors was found multiple times. This +was unexpected. +
Use special bonds = 0,1,1 with bond style fene/expand
Most FENE models need this setting for the special_bonds command. diff --git a/doc/Section_errors.txt b/doc/Section_errors.txt index 53e1d87d51..cfc93cdf86 100644 --- a/doc/Section_errors.txt +++ b/doc/Section_errors.txt @@ -997,15 +997,9 @@ triclinic. :dd Self-explanatory. :dd -{Compute erotate/asphere requires extended particles} :dt +{Compute ID for compute heat/flux does not exist} :dt -This quantity can only be calculated for particles with a shape -setting. :dd - -{Compute temp/asphere requires extended particles} :dt - -This quantity can only be calculated for particles with a shape -setting. :dd +Self-explanatory. :dd {Compute ID for compute reduce does not exist} :dt @@ -1054,6 +1048,11 @@ Self-explantory. :dd Damage is a Peridynamic-specific metric. It requires you to be running a Peridynamics simulation. :dd +{Compute does not allow an extra compute to be reset} :dt + +This is an internal LAMMPS error. Please report it to the +developers. :dd + {Compute erotate/asphere cannot be used with atom attributes diameter or rmass} :dt These attributes override the shape and mass settings, so cannot be @@ -1063,6 +1062,10 @@ used. :dd An atom style that defines these attributes must be used. :dd +{Compute erotate/asphere requires extended particles} :dt + +This compute cannot be used with point paritlces. :dd + {Compute erotate/sphere requires atom attribute omega} :dt An atom style that defines this attribute must be used. :dd @@ -1079,6 +1082,14 @@ Self-explanatory. :dd Self-explanatory. :dd +{Compute heat/flux compute ID does not compute pe/atom} :dt + +Self-explanatory. :dd + +{Compute heat/flux requires ghost atoms store velocity} :dt + +An atom style that stores this, like atom_style dpd, must be used. :dd + {Compute pe must use group all} :dt Energies computed by potentials (pair, bond, etc) are computed on all @@ -1089,7 +1100,7 @@ atoms. :dd Virial contributions computed by potentials (pair, bond, etc) are computed on all atoms. :dd -{Compute pressure temp ID does not compute temperature} :dt +{Compute pressure temperature ID does not compute temperature} :dt The compute ID assigned to a pressure computation must compute temperature. :dd @@ -1135,11 +1146,11 @@ used. :dd An atom style that defines these attributes must be used. :dd -{Compute temp/partial cannot use vz for 2d systems} :dt +{Compute temp/asphere requires extended particles} :dt -Self-explanatory. :dd +This compute cannot be used with point paritlces. :dd -{Compute temp/profile cannot use vz for 2d systems} :dt +{Compute temp/partial cannot use vz for 2d systemx} :dt Self-explanatory. :dd @@ -1147,6 +1158,10 @@ Self-explanatory. :dd Self-explanatory. :dd +{Compute temp/profile cannot use vz for 2d systemx} :dt + +Self-explanatory. :dd + {Compute temp/sphere requires atom attribute omega} :dt An atom style that defines this attribute must be used. :dd @@ -1219,7 +1234,11 @@ Self-explanatory. :dd Self-explanatory. :dd -{Could not find compute pressure temp ID} :dt +{Could not find compute heat/flux compute ID} :dt + +Self-explanatory. :dd + +{Could not find compute pressure temperature ID} :dt The compute ID for calculating temperature does not exist. :dd @@ -1227,10 +1246,6 @@ The compute ID for calculating temperature does not exist. :dd Self-explanatory. :dd -{Could not find group delete ID} :dt - -Self-explanatory. :dd - {Could not find delete_atoms group ID} :dt Group ID used in the delete_atoms command does not exist. :dd @@ -1292,10 +1307,14 @@ A fix ID used in the fix_modify command does not exist. :dd The compute ID for computing pressure does not exist. :dd -{Could not find fix_modify temp ID} :dt +{Could not find fix_modify temperature ID} :dt The compute ID for computing temperature does not exist. :dd +{Could not find group delete group ID} :dt + +Self-explanatory. :dd + {Could not find set group ID} :dt Group ID specified in set command does not exist. :dd @@ -1322,12 +1341,12 @@ Self-explanatory. :dd Fix ID specified in thermo_style command does not exist. :dd -{Could not find thermo_modify press ID} :dt +{Could not find thermo_modify pressure ID} :dt The compute ID needed by thermo style custom to compute pressure does not exist. :dd -{Could not find thermo_modify temp ID} :dt +{Could not find thermo_modify temperature ID} :dt The compute ID needed by thermo style custom to compute temperature does not exist. :dd @@ -1340,7 +1359,7 @@ A dump ID used in the undump command does not exist. :dd A group ID used in the velocity command does not exist. :dd -{Could not find velocity temp ID} :dt +{Could not find velocity temperature ID} :dt The compute ID needed by the velocity command to compute temperature does not exist. :dd @@ -1997,6 +2016,11 @@ Self-explanatory. :dd Cannot use the rdf fix unless a pair style with a cutoff has been defined. :dd +{Fix reax/bonds numbonds > nsbmax_most} :dt + +The limit of the number of bonds expected by the ReaxFF force field +was exceeded. :dd + {Fix recenter group has no atoms} :dt Self-explanatory. :dd @@ -2057,10 +2081,6 @@ Self-explanatory. :dd Self-explanatory. :dd -{Invalid random number seed in fix ttm command} :dt - -Random number seed must be > 0. :dd - {Fix ttm v_0 must be >= 0.0} :dt Self-explanatory. :dd @@ -2095,7 +2115,7 @@ The atom style defined does not have these attributes. :dd The compute ID assigned to the fix must compute pressure. :dd -{Fix_modify temp ID does not compute temperature} :dt +{Fix_modify temperature ID does not compute temperature} :dt The compute ID assigned to the fix must compute temperature. :dd @@ -2337,6 +2357,11 @@ Eigensolve for rigid body was not sufficiently accurate. :dd Eigensolve for rigid body was not sufficiently accurate. :dd +{Invalid REAX atom type} :dt + +There is a mis-match between LAMMPS atom types and the elements +listed in the ReaxFF force field file. :dd + {Invalid angle style} :dt The choice of angle style is unknown. :dd @@ -2542,6 +2567,10 @@ Atom style does not allow impropers. :dd Atom style does not allow dihedrals. :dd +{Invalid density in Atoms section of data file} :dt + +Density value cannot be <= 0.0. :dd + {Invalid dihedral style} :dt The choice of dihedral style is unknown. :dd @@ -2590,6 +2619,11 @@ Operator keyword used for threshold specification in not recognized. :dd The fix is not recognized. :dd +{Invalid fix box/relax command for a 2d simulation} :dt + +Fix box/relax styles involving the z dimension cannot be used in +a 2d simulation. :dd + {Invalid fix nph command for a 2d simulation} :dt Cannot use style xy, yz, or xz for a 2d simulation. :dd @@ -2735,6 +2769,10 @@ Length of read-in pair table is invalid :dd Radius must be >= 0.0. :dd +{Invalid random number seed in fix ttm command} :dt + +Random number seed must be > 0. :dd + {Invalid random number seed in set command} :dt Random number seed must be > 0. :dd @@ -3451,17 +3489,22 @@ not be invoked by bond_style quartic. :dd {Pair style does not support compute group/group} :dt The pair_style does not have a single() function, so it cannot be -invokded by the compute group/group command. +invokded by the compute group/group command. :dd + +{Pair style does not support compute heat/flux} :dt + +The pair style does not have a single() function, so it can +not be invoked by compute heat/flux. :dd {Pair style does not support fix bond/swap} :dt -The pair_style does not have a single() function, so it cannot be -invokded by the fix bond/swap command. +The pair style does not have a single() function, so it can +not be invoked by fix bond/swap. :dd {Pair style does not support pair_write} :dt -The pair style does not have a single() function, so it cannot be -invoked by the pair_write command. :dd +The pair style does not have a single() function, so it can +not be invoked by pair write. :dd {Pair style does not support rRESPA inner/middle/outer} :dt @@ -3616,6 +3659,10 @@ Self-explanatory. :dd The compute ID needed to compute pressure for the fix does not exist. :dd +{Pressure ID for fix modify does not exist} :dt + +Self-explanatory. :dd + {Pressure ID for fix nph does not exist} :dt The compute ID needed to compute pressure for the fix does not @@ -3636,10 +3683,6 @@ exist. :dd The compute ID needed to compute pressure for thermodynamics does not exist. :dd -{Pressure ID for fix modify does not exist} :dt - -Self-explanatory. :dd - {Proc grid in z != 1 for 2d simulation} :dt There cannot be more than 1 processor in the z dimension of a 2d @@ -3842,29 +3885,30 @@ Self-explanatory. :dd Self-explanatory. :dd -{Temp ID for fix bond/swap does not exist} :dt +{Temper command before simulation box is defined} :dt + +The temper command cannot be used before a read_data, read_restart, or +create_box command. :dd + +{Temperature ID for fix bond/swap does not exist} :dt Self-explanatory. :dd {Temperature ID for fix box/relax does not exist} :dt -The compute ID needed to compute temperature for the fix does not -exist. :dd +Self-explanatory. :dd {Temperature ID for fix nph does not exist} :dt -The compute ID needed to compute temperature for the fix does not -exist. :dd +Self-explanatory. :dd {Temperature ID for fix npt does not exist} :dt -The compute ID needed to compute temperature for the fix does not -exist. :dd +Self-explanatory. :dd {Temperature ID for fix nvt does not exist} :dt -The compute ID needed to compute temperature for the fix does not -exist. :dd +Self-explanatory. :dd {Temperature ID for fix press/berendsen does not exist} :dt @@ -3876,13 +3920,7 @@ Self-explanatory. :dd {Temperature ID for fix temp/rescale does not exist} :dt -The compute ID needed to compute temperature for the fix does not -exist. :dd - -{Temper command before simulation box is defined} :dt - -The temper command cannot be used before a read_data, read_restart, or -create_box command. :dd +Self-explanatory. :dd {Temperature for fix nvt/sllod does not have a bias} :dt @@ -3973,11 +4011,11 @@ is not computing this quantity. :dd Cannot use thermo_modify to set this parameter since the thermo_style is not computing this quantity. :dd -{Thermo_modify press ID does not compute pressure} :dt +{Thermo_modify pressure ID does not compute pressure} :dt The specified compute ID does not compute pressure. :dd -{Thermo_modify temp ID does not compute temperature} :dt +{Thermo_modify temperature ID does not compute temperature} :dt The specified compute ID does not compute temperature. :dd @@ -4199,7 +4237,7 @@ A velocity command has been used, but no atoms yet exist. :dd Self-explanatory. :dd -{Velocity temp ID does not compute temperature} :dt +{Velocity temperature ID does not compute temperature} :dt The compute ID given to the velocity command must compute temperature. :dd @@ -4235,6 +4273,18 @@ Warnings: :h4,link(warn) See the doc page for fix bond/break for more info on this restriction. :dd +{Compute cna/atom cutoff may be too large to find ghost atom neighbors} :dt + +The neighbor cutoff used may not encompass enough ghost atoms +to perform this operation correctly. :dd + +{Computing temperature of portions of rigid bodies} :dt + +The group defined by the temperature compute does not encompass all +the atoms in one or more rigid bodies, so the change in +degrees-of-freedom for the atoms in those partial rigid bodies will +not be accounted for. :dd + {Created bonds will not create angles, dihedrals, or impropers} :dt See the doc page for fix bond/create for more info on this @@ -4430,24 +4480,19 @@ you ran on the same # of processors. :dd {Restart file used different boundary settings, using restart file values} :dt -Your input script cannot change these settings in the restart file. +Your input script cannot change these restart file settings. :dd {Restart file used different newton bond setting, using restart file value} :dt -Your input script cannot change this setting in the restart file. +The restart file value will override the setting in the input script. :dd {Restart file used different newton pair setting, using input script value} :dt -Your input script can change this setting in the restart file, but you -may not wish to do so. +The input script value will override the setting in the restart file. :dd {Restart file version does not match LAMMPS version} :dt -The version of LAMMPS that wrote the restart file does not match the -version of LAMMPS that is reading the restart file. Generally this -shouldn't be a problem, since restart file formats won't change very -often if at all. But if they do, the code will probably crash trying -to read the file. Versions of LAMMPS are specified by a date. :dd +This may cause problems when reading the restart file. :dd {Shake determinant < 0.0} :dt @@ -4479,6 +4524,11 @@ all atoms. Since NPT computes a global pressure, the kinetic energy contribution from the temperature is assumed to also be for all atoms. Thus the pressure used by NPT could be inaccurate. :dd +{Temperature for fix modify is not for group all} :dt + +The temperature compute is being used with a pressure calculation +which does operate on group all, so this may be inconsistent. :dd + {Temperature for thermo pressure is not for group all} :dt User-assigned temperature to thermo via the thermo_modify command does @@ -4487,10 +4537,20 @@ pressure, the kinetic energy contribution from the temperature is assumed to also be for all atoms. Thus the pressure printed by thermo could be inaccurate. :dd +{Too many common neighbors in CNA %d times} :dt + +More than the maximum # of neighbors was found multiple times. This +was unexpected. :dd + {Too many inner timesteps in fix ttm} :dt Self-explanatory. :dd +{Too many neighbors in CNA for %d atoms} :dt + +More than the maximum # of neighbors was found multiple times. This +was unexpected. :dd + {Use special bonds = 0,1,1 with bond style fene/expand} :dt Most FENE models need this setting for the special_bonds command. :dd diff --git a/doc/Section_intro.html b/doc/Section_intro.html index fae88987c5..3c1b78aaeb 100644 --- a/doc/Section_intro.html +++ b/doc/Section_intro.html @@ -192,11 +192,12 @@ commands)
  • rRESPA hierarchical timestepping
  • parallel tempering (replica exchange) -

    Diagnostics: h4 -(fix command, compute command) -

    -

    see the various flavors of the fix and compute commands +

    Diagnostics +

    +

    (fix command, compute command)

    +

    Output

    (dump, restart commands) diff --git a/doc/Section_intro.txt b/doc/Section_intro.txt index 4c9546b2f9..a86c2cd2a7 100644 --- a/doc/Section_intro.txt +++ b/doc/Section_intro.txt @@ -191,10 +191,10 @@ Integrators :h4 rRESPA hierarchical timestepping parallel tempering (replica exchange) :ul -Diagnostics: h4 +Diagnostics :h4 ("fix"_fix.html command, "compute"_compute.html command) - see the various flavors of the fix and compute commands + see the various flavors of the fix and compute commands :ul Output :h4 ("dump"_dump.html, "restart"_restart.html commands)