Mixing, shift, table, tail correction, per-atom energy/stress, -restart, and rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
This pair style does not support the pair_modify mix, shift, table, and tail options.
-This pair style does not calculate per-atom energy and stress, as used -by the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style does not write its information to binary restart files, since it is stored in potential files. Thus, you need to re-specify the pair_style and pair_coeff commands in an input diff --git a/doc/pair_airebo.txt b/doc/pair_airebo.txt index e28b994b8c..bfab494cbf 100644 --- a/doc/pair_airebo.txt +++ b/doc/pair_airebo.txt @@ -103,17 +103,11 @@ off. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, and rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: This pair style does not support the "pair_modify"_pair_modify.html mix, shift, table, and tail options. -This pair style does not calculate per-atom energy and stress, as used -by the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style does not write its information to "binary restart files"_restart.html, since it is stored in potential files. Thus, you need to re-specify the pair_style and pair_coeff commands in an input diff --git a/doc/pair_buck.html b/doc/pair_buck.html index b35f22b519..30b23c460b 100644 --- a/doc/pair_buck.html +++ b/doc/pair_buck.html @@ -88,8 +88,7 @@ pair_style command.
Mixing, shift, table, tail correction, per-atom energy/stress, and -restart info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
None of the Buckingham pair styles support mixing. Thus, coefficients for all I,J pairs must be specified explicitly. @@ -106,11 +105,6 @@ capability has not yet been added to this potential. pair_modify tail option for adding long-range tail corrections to energy and pressure.
-All of the Buckingham pair styles can calculate per-atom energy and -stress, as used by the compute epair/atom, -compute stress/atom, and dump -custom commands. -
All of the Buckingham pair styles write their information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_buck.txt b/doc/pair_buck.txt index afe994984f..38ac83adde 100644 --- a/doc/pair_buck.txt +++ b/doc/pair_buck.txt @@ -82,8 +82,7 @@ pair_style command. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, and -restart info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: None of the Buckingham pair styles support mixing. Thus, coefficients for all I,J pairs must be specified explicitly. @@ -100,11 +99,6 @@ None of the Buckingham pair styles support the "pair_modify"_pair_modify.html tail option for adding long-range tail corrections to energy and pressure. -All of the Buckingham pair styles can calculate per-atom energy and -stress, as used by the "compute epair/atom"_compute_epair_atom.html, -"compute stress/atom"_compute_stress_atom.html, and "dump -custom"_dump.html commands. - All of the Buckingham pair styles write their information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_buck_coul.html b/doc/pair_buck_coul.html index bad45aeaff..1b5dfc36f2 100644 --- a/doc/pair_buck_coul.html +++ b/doc/pair_buck_coul.html @@ -103,8 +103,7 @@ global Coulombic cutoff is allowed.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, and rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
This pair styles does not support mixing. Thus, coefficients for all I,J pairs must be specified explicitly. @@ -121,11 +120,6 @@ interaction. table option since a tabulation capability has not yet been added to this potential.
-This pair style can calculate per-atom energy and stress, as used by -the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style write its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_buck_coul.txt b/doc/pair_buck_coul.txt index 2245fd530b..167b7039c4 100644 --- a/doc/pair_buck_coul.txt +++ b/doc/pair_buck_coul.txt @@ -95,8 +95,7 @@ global Coulombic cutoff is allowed. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, and rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: This pair styles does not support mixing. Thus, coefficients for all I,J pairs must be specified explicitly. @@ -113,11 +112,6 @@ This pair style does not support the "pair_modify"_pair_modify.html table option since a tabulation capability has not yet been added to this potential. -This pair style can calculate per-atom energy and stress, as used by -the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style write its information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_charmm.html b/doc/pair_charmm.html index ef5b0dde9d..dc1e2815cf 100644 --- a/doc/pair_charmm.html +++ b/doc/pair_charmm.html @@ -115,8 +115,7 @@ the pair_style command.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, and rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the epsilon, sigma, epsilon_14, and sigma_14 coefficients for all of the lj/charmm pair styles can be @@ -137,11 +136,6 @@ interaction. corrections to energy and pressure, since the Lennard-Jones portion of the pair interaction is smoothed to 0.0 at the cutoff.
-All of the lj/charmm pair styles can calculate per-atom energy and -stress, as used by the compute epair/atom, -compute stress/atom, and dump -custom commands. -
All of the lj/charmm pair styles write their information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_charmm.txt b/doc/pair_charmm.txt index 78aa1ca8e4..3c141de4d5 100644 --- a/doc/pair_charmm.txt +++ b/doc/pair_charmm.txt @@ -108,8 +108,7 @@ the pair_style command. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, and rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the epsilon, sigma, epsilon_14, and sigma_14 coefficients for all of the lj/charmm pair styles can be @@ -130,11 +129,6 @@ None of the lj/charmm pair styles support the corrections to energy and pressure, since the Lennard-Jones portion of the pair interaction is smoothed to 0.0 at the cutoff. -All of the lj/charmm pair styles can calculate per-atom energy and -stress, as used by the "compute epair/atom"_compute_epair_atom.html, -"compute stress/atom"_compute_stress_atom.html, and "dump -custom"_dump.html commands. - All of the lj/charmm pair styles write their information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_class2.html b/doc/pair_class2.html index 741e8c5daf..f7247de5bd 100644 --- a/doc/pair_class2.html +++ b/doc/pair_class2.html @@ -96,8 +96,7 @@ mix setting is thus ignored for class2 potentials for epsilon and sigma. However it is still followed for mixing the cutoff distance.
-Mixing, shift, table, tail correction, per-atom energy/stress, -restart, and rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for all of the lj/class2 pair styles can be mixed. @@ -119,11 +118,6 @@ capability has not yet been added to this potential. tail correction to the energy and pressure of the Lennard-Jones portion of the pair interaction.
-All of the lj/class2 pair styles can calculate per-atom energy and -stress, as used by the compute epair/atom, -compute stress/atom, and dump -custom commands. -
All of the lj/class2 pair styles write their information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_class2.txt b/doc/pair_class2.txt index f1dcee5bdd..43feb6a8f1 100644 --- a/doc/pair_class2.txt +++ b/doc/pair_class2.txt @@ -90,8 +90,7 @@ mix"_pair_modify.html setting is thus ignored for class2 potentials for epsilon and sigma. However it is still followed for mixing the cutoff distance. -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, and rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for all of the lj/class2 pair styles can be mixed. @@ -113,11 +112,6 @@ All of the lj/class2 pair styles support the tail correction to the energy and pressure of the Lennard-Jones portion of the pair interaction. -All of the lj/class2 pair styles can calculate per-atom energy and -stress, as used by the "compute epair/atom"_compute_epair_atom.html, -"compute stress/atom"_compute_stress_atom.html, and "dump -custom"_dump.html commands. - All of the lj/class2 pair styles write their information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_colloid.html b/doc/pair_colloid.html index d0afc5f264..61f9bcf05c 100644 --- a/doc/pair_colloid.html +++ b/doc/pair_colloid.html @@ -114,8 +114,7 @@ colloid-solvent cutoff in this case.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the A, sigma, d1, and d2 coefficients and cutoff distance for this pair style can be mixed. A @@ -133,11 +132,6 @@ for this pair style. tail option for adding long-range tail corrections to energy and pressure.
-This pair style can calculate per-atom energy and stress, as used by -the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_colloid.txt b/doc/pair_colloid.txt index 2699fa5d9e..b612ba0c36 100644 --- a/doc/pair_colloid.txt +++ b/doc/pair_colloid.txt @@ -111,8 +111,7 @@ colloid-solvent cutoff in this case. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the A, sigma, d1, and d2 coefficients and cutoff distance for this pair style can be mixed. A @@ -130,11 +129,6 @@ This pair style does not support the "pair_modify"_pair_modify.html tail option for adding long-range tail corrections to energy and pressure. -This pair style can calculate per-atom energy and stress, as used by -the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style writes its information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_coul.html b/doc/pair_coul.html index 84d863d13c..c88c1564c2 100644 --- a/doc/pair_coul.html +++ b/doc/pair_coul.html @@ -89,8 +89,7 @@ Coulombic cutoff specified in the pair_style command.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the cutoff distance for the coul/cut style can be mixed. The default mix value is geometric. @@ -107,11 +106,6 @@ long-range Coulombic interaction. tail option for adding long-range tail corrections to energy and pressure.
-These pair styles can calculate per-atom energy and stress, as used by -the compute epair/atom, compute -stress/atom, and dump custom -commands. -
These pair styles write their information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_coul.txt b/doc/pair_coul.txt index 29288b46d8..9c0de4176c 100644 --- a/doc/pair_coul.txt +++ b/doc/pair_coul.txt @@ -84,8 +84,7 @@ Coulombic cutoff specified in the pair_style command. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the cutoff distance for the {coul/cut} style can be mixed. The default mix value is {geometric}. @@ -102,11 +101,6 @@ These pair styles do not support the "pair_modify"_pair_modify.html tail option for adding long-range tail corrections to energy and pressure. -These pair styles can calculate per-atom energy and stress, as used by -the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - These pair styles write their information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_dipole.html b/doc/pair_dipole.html index 070a421641..505e9e140f 100644 --- a/doc/pair_dipole.html +++ b/doc/pair_dipole.html @@ -78,8 +78,7 @@ type pair.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distances for this pair style can be mixed. The default @@ -102,11 +101,6 @@ for this pair style. tail option for adding long-range tail corrections to energy and pressure.
-This pair style can calculate per-atom energy and stress, as used by -the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_dipole.txt b/doc/pair_dipole.txt index 0b22b5d2f8..ba598e0114 100755 --- a/doc/pair_dipole.txt +++ b/doc/pair_dipole.txt @@ -75,8 +75,7 @@ type pair. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distances for this pair style can be mixed. The default @@ -99,11 +98,6 @@ This pair style does not support the "pair_modify"_pair_modify.html tail option for adding long-range tail corrections to energy and pressure. -This pair style can calculate per-atom energy and stress, as used by -the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style writes its information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_dpd.html b/doc/pair_dpd.html index def1f4fdfa..d00290e596 100644 --- a/doc/pair_dpd.html +++ b/doc/pair_dpd.html @@ -58,8 +58,7 @@ command so it does not need to be specified.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
Thsi pair style does not support mixing. Thus, coefficients for all I,J pairs must be specified explicitly. @@ -74,13 +73,6 @@ for this pair style. tail option for adding long-range tail corrections to energy and pressure.
-This pair style can calculate per-atom energy and stress, as used by -the compute epair/atom, compute -stress/atom, and dump custom -commands. However, only the first term with the A coefficienct -(conservative force) is used for these computations. The drag force -and random force terms are not. -
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. Note diff --git a/doc/pair_dpd.txt b/doc/pair_dpd.txt index 161bc125a3..6b3f87c513 100644 --- a/doc/pair_dpd.txt +++ b/doc/pair_dpd.txt @@ -55,8 +55,7 @@ command so it does not need to be specified. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: Thsi pair style does not support mixing. Thus, coefficients for all I,J pairs must be specified explicitly. @@ -71,13 +70,6 @@ This pair style does not support the "pair_modify"_pair_modify.html tail option for adding long-range tail corrections to energy and pressure. -This pair style can calculate per-atom energy and stress, as used by -the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. However, only the first term with the A coefficienct -(conservative force) is used for these computations. The drag force -and random force terms are not. - This pair style writes its information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. Note diff --git a/doc/pair_eam.html b/doc/pair_eam.html index 0e3da756ed..7f525d32ef 100644 --- a/doc/pair_eam.html +++ b/doc/pair_eam.html @@ -322,8 +322,7 @@ are listed.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, where types I and J correspond to two different element types, mixing is performed by LAMMPS as @@ -333,12 +332,6 @@ a pair_coeff command with I != J arguments for the eam styles.
This pair style does not support the pair_modify shift, table, and tail options.
-All of the eam pair styles can calculate per-atom energy and stress, -as used by the compute epair/atom, compute -stress/atom, and dump custom -commands. These quantities include the contribution from the -embedding term in the EAM formulas. -
The eam pair styles do not write their information to binary restart files, since it is stored in potential files. Thus, you need to re-specify the pair_style and pair_coeff commands in an input diff --git a/doc/pair_eam.txt b/doc/pair_eam.txt index f98021e2b6..728d7fe363 100644 --- a/doc/pair_eam.txt +++ b/doc/pair_eam.txt @@ -314,8 +314,7 @@ are listed. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, where types I and J correspond to two different element types, mixing is performed by LAMMPS as @@ -325,12 +324,6 @@ a pair_coeff command with I != J arguments for the eam styles. This pair style does not support the "pair_modify"_pair_modify.html shift, table, and tail options. -All of the eam pair styles can calculate per-atom energy and stress, -as used by the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. These quantities include the contribution from the -embedding term in the EAM formulas. - The eam pair styles do not write their information to "binary restart files"_restart.html, since it is stored in potential files. Thus, you need to re-specify the pair_style and pair_coeff commands in an input diff --git a/doc/pair_gayberne.html b/doc/pair_gayberne.html index 8907ce55a8..50e555d6e9 100644 --- a/doc/pair_gayberne.html +++ b/doc/pair_gayberne.html @@ -116,8 +116,7 @@ to specify its interaction with other spherical particles.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for this pair style can be mixed. The default mix @@ -136,11 +135,6 @@ for this pair style. tail option for adding long-range tail corrections to energy and pressure.
-This pair style does not calculate per-atom energy and stress, as used -by the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_gayberne.txt b/doc/pair_gayberne.txt index 840e4e142b..fd9076b6fa 100755 --- a/doc/pair_gayberne.txt +++ b/doc/pair_gayberne.txt @@ -113,8 +113,7 @@ to specify its interaction with other spherical particles. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for this pair style can be mixed. The default mix @@ -133,11 +132,6 @@ This pair style does not support the "pair_modify"_pair_modify.html tail option for adding long-range tail corrections to energy and pressure. -This pair style does not calculate per-atom energy and stress, as used -by the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style writes its information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_gran.html b/doc/pair_gran.html index 1075d677aa..547ea99545 100644 --- a/doc/pair_gran.html +++ b/doc/pair_gran.html @@ -74,17 +74,11 @@ global settings are made via the pair_style command.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
The pair_modify mix, shift, table, and tail options are not relevant for granular pair styles.
-These pair styles do not calculate per-atom energy and stress, as used -by the compute epair/atom, compute -stress/atom, and dump custom -commands. -
These pair styles write their information to binary restart files, so a pair_style command does not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_gran.txt b/doc/pair_gran.txt index d5ccc6799f..baae22655d 100644 --- a/doc/pair_gran.txt +++ b/doc/pair_gran.txt @@ -65,17 +65,11 @@ See the citation below for more discussion of granular potentials. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: The "pair_modify"_pair_modify.html mix, shift, table, and tail options are not relevant for granular pair styles. -These pair styles do not calculate per-atom energy and stress, as used -by the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - These pair styles write their information to "binary restart files"_restart.html, so a pair_style command does not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_hybrid.html b/doc/pair_hybrid.html index ca32618d9d..e5281a4a10 100644 --- a/doc/pair_hybrid.html +++ b/doc/pair_hybrid.html @@ -124,8 +124,7 @@ potentials.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
Any pair potential settings made via the pair_modify command are passed along to all @@ -146,11 +145,6 @@ doc page for the sub-style to see if allows for mixing. shift, table, and tail options for an I,J pair interaction, if the associated sub-style supports it.
-The hybrid pair styles can calculate per-atom energy and stress, as -used by the compute epair/atom, compute -stress/atom, and dump custom -commands, if all its sub-styles can perform per-atom calculations. -
For the hybrid pair styles, the list of sub-styles and their respective settings are written to binary restart files, so a pair_style command does not need to diff --git a/doc/pair_hybrid.txt b/doc/pair_hybrid.txt index 2b3ae212f1..24d63a563b 100644 --- a/doc/pair_hybrid.txt +++ b/doc/pair_hybrid.txt @@ -120,8 +120,7 @@ potentials. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: Any pair potential settings made via the "pair_modify"_pair_modify.html command are passed along to all @@ -142,11 +141,6 @@ The hybrid pair styles supports the "pair_modify"_pair_modify.html shift, table, and tail options for an I,J pair interaction, if the associated sub-style supports it. -The hybrid pair styles can calculate per-atom energy and stress, as -used by the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands, if all its sub-styles can perform per-atom calculations. - For the hybrid pair styles, the list of sub-styles and their respective settings are written to "binary restart files"_restart.html, so a pair_style command does not need to diff --git a/doc/pair_lj.html b/doc/pair_lj.html index e3452aa3c3..9e4622e4ab 100644 --- a/doc/pair_lj.html +++ b/doc/pair_lj.html @@ -165,8 +165,7 @@ Coulombic cutoff specified in the pair_style command.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, and rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for all of the lj/cut pair styles can be mixed. @@ -187,11 +186,6 @@ interaction. tail correction to the energy and pressure of the Lennard-Jones portion of the pair interaction.
-All of the lj/cut pair styles can calculate per-atom energy and -stress, as used by the compute epair/atom, -compute stress/atom, and dump -custom commands. -
All of the lj/cut pair styles write their information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_lj.txt b/doc/pair_lj.txt index 69652f31b2..cdad567719 100644 --- a/doc/pair_lj.txt +++ b/doc/pair_lj.txt @@ -157,8 +157,7 @@ Coulombic cutoff specified in the pair_style command. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, and rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for all of the lj/cut pair styles can be mixed. @@ -179,11 +178,6 @@ All of the lj/cut pair styles support the tail correction to the energy and pressure of the Lennard-Jones portion of the pair interaction. -All of the lj/cut pair styles can calculate per-atom energy and -stress, as used by the "compute epair/atom"_compute_epair_atom.html, -"compute stress/atom"_compute_stress_atom.html, and "dump -custom"_dump.html commands. - All of the lj/cut pair styles write their information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_lj_coul.html b/doc/pair_lj_coul.html index a7e9b684aa..48cd7763e1 100644 --- a/doc/pair_lj_coul.html +++ b/doc/pair_lj_coul.html @@ -105,8 +105,7 @@ pair, since only one global Coulombic cutoff is allowed.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for all of the lj/cut pair styles can be mixed. @@ -126,11 +125,6 @@ option for adding a long-range tail correction to the Lennard-Jones portion of the energy and pressure of the pair interaction, assuming flag_lj is cut.
-This pair style can calculate per-atom energy and stress, as used by -the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_lj_coul.txt b/doc/pair_lj_coul.txt index 12e1629b3d..3a47fa6dfc 100644 --- a/doc/pair_lj_coul.txt +++ b/doc/pair_lj_coul.txt @@ -97,8 +97,7 @@ pair, since only one global Coulombic cutoff is allowed. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for all of the lj/cut pair styles can be mixed. @@ -118,11 +117,6 @@ option for adding a long-range tail correction to the Lennard-Jones portion of the energy and pressure of the pair interaction, assuming {flag_lj} is {cut}. -This pair style can calculate per-atom energy and stress, as used by -the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style writes its information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_lj_expand.html b/doc/pair_lj_expand.html index de5c26db44..8dfb3d2068 100644 --- a/doc/pair_lj_expand.html +++ b/doc/pair_lj_expand.html @@ -51,8 +51,7 @@ optional. If not specified, the global LJ cutoff is used.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the epsilon, sigma, and shift coefficients and cutoff distance for this pair style can be mixed. @@ -71,11 +70,6 @@ for this pair style. option for adding a long-range tail correction to the energy and pressure of the pair interaction.
-This pair style can calculate per-atom energy and stress, as used by -the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_lj_expand.txt b/doc/pair_lj_expand.txt index 0007737206..3c82f5b944 100644 --- a/doc/pair_lj_expand.txt +++ b/doc/pair_lj_expand.txt @@ -48,8 +48,7 @@ optional. If not specified, the global LJ cutoff is used. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the epsilon, sigma, and shift coefficients and cutoff distance for this pair style can be mixed. @@ -68,11 +67,6 @@ This pair style supports the "pair_modify"_pair_modify.html tail option for adding a long-range tail correction to the energy and pressure of the pair interaction. -This pair style can calculate per-atom energy and stress, as used by -the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style writes its information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_lj_smooth.html b/doc/pair_lj_smooth.html index 06b2133b6a..6e056d4653 100644 --- a/doc/pair_lj_smooth.html +++ b/doc/pair_lj_smooth.html @@ -60,8 +60,7 @@ formula is used.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the epsilon, sigma, Rin coefficients and the cutoff distance for this pair style can be mixed. @@ -81,11 +80,6 @@ tail option for adding long-range tail corrections to energy and pressure, since the energy of the pair interaction is smoothed to 0.0 at the cutoff.
-This pair style can calculate per-atom energy and stress, as used by -the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_lj_smooth.txt b/doc/pair_lj_smooth.txt index 44f939c3ea..cedc6030d9 100644 --- a/doc/pair_lj_smooth.txt +++ b/doc/pair_lj_smooth.txt @@ -57,8 +57,7 @@ formula is used. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the epsilon, sigma, Rin coefficients and the cutoff distance for this pair style can be mixed. @@ -78,11 +77,6 @@ tail option for adding long-range tail corrections to energy and pressure, since the energy of the pair interaction is smoothed to 0.0 at the cutoff. -This pair style can calculate per-atom energy and stress, as used by -the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style writes its information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_lubricate.html b/doc/pair_lubricate.html index 4f3a8e2095..da732533e0 100644 --- a/doc/pair_lubricate.html +++ b/doc/pair_lubricate.html @@ -74,8 +74,7 @@ must be specified.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the two cutoff distances for this pair style can be mixed. The default mix value is geometric. See @@ -91,11 +90,6 @@ for this pair style. tail option for adding long-range tail corrections to energy and pressure.
-This pair style does not calculate per-atom energy and stress, as used -by the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_lubricate.txt b/doc/pair_lubricate.txt index 6b65bac853..892af1bf90 100644 --- a/doc/pair_lubricate.txt +++ b/doc/pair_lubricate.txt @@ -71,8 +71,7 @@ must be specified. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the two cutoff distances for this pair style can be mixed. The default mix value is {geometric}. See @@ -88,11 +87,6 @@ This pair style does not support the "pair_modify"_pair_modify.html tail option for adding long-range tail corrections to energy and pressure. -This pair style does not calculate per-atom energy and stress, as used -by the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style writes its information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_meam.html b/doc/pair_meam.html index e40a1f3eab..d26555ae93 100644 --- a/doc/pair_meam.html +++ b/doc/pair_meam.html @@ -187,8 +187,7 @@ alloy interaction between elements 1 and 2 to 4.37.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, where types I and J correspond to two different element types, mixing is performed by LAMMPS with @@ -198,11 +197,6 @@ specify a pair_coeff command with I != J arguments for this style.
This pair style does not support the pair_modify shift, table, and tail options.
-This pair style does not calculate per-atom energy and stress, as used -by the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style does not write its information to binary restart files, since it is stored in potential files. Thus, you need to re-specify the pair_style and pair_coeff commands in an input diff --git a/doc/pair_meam.txt b/doc/pair_meam.txt index 63d3fbe492..af9020555d 100644 --- a/doc/pair_meam.txt +++ b/doc/pair_meam.txt @@ -184,8 +184,7 @@ alloy interaction between elements 1 and 2 to 4.37. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, where types I and J correspond to two different element types, mixing is performed by LAMMPS with @@ -195,11 +194,6 @@ specify a pair_coeff command with I != J arguments for this style. This pair style does not support the "pair_modify"_pair_modify.html shift, table, and tail options. -This pair style does not calculate per-atom energy and stress, as used -by the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style does not write its information to "binary restart files"_restart.html, since it is stored in potential files. Thus, you need to re-specify the pair_style and pair_coeff commands in an input diff --git a/doc/pair_morse.html b/doc/pair_morse.html index 5dfeef297a..e5183ef53e 100644 --- a/doc/pair_morse.html +++ b/doc/pair_morse.html @@ -55,34 +55,27 @@ of the run time).
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
-None of the Morse pair styles support mixing. Thus, coefficients for -all I,J pairs must be specified explicitly. +
None of these pair styles support mixing. Thus, coefficients for all +I,J pairs must be specified explicitly.
-All of the Morse pair styles support the -pair_modify shift option for the energy of the pair -interaction. +
All of these pair styles support the pair_modify +shift option for the energy of the pair interaction.
The pair_modify table options is not relevant for the Morse pair styles.
-None of the Morse pair styles support the -pair_modify tail option for adding long-range tail -corrections to energy and pressure. +
None of these pair styles support the pair_modify +tail option for adding long-range tail corrections to energy and +pressure.
-All of the Morse pair styles can calculate per-atom energy and -stress, as used by the compute epair/atom, -compute stress/atom, and dump -custom commands. +
All of these pair styles write their information to binary restart +files, so pair_style and pair_coeff commands do not need +to be specified in an input script that reads a restart file.
-All of the Morse pair styles write their information to binary -restart files, so pair_style and pair_coeff commands do -not need to be specified in an input script that reads a restart file. -
-This pair style can only be used via the pair keyword of the -run_style respa command. It does not support the +
These pair styles can only be used via the pair keyword of the +run_style respa command. They do not support the inner, middle, outer keywords.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance can be mixed, but only for LJ sphere pairs. The @@ -156,11 +155,6 @@ for this pair style. tail option for adding long-range tail corrections to energy and pressure.
-This pair style does not calculate per-atom energy and stress, as used -by the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_resquared.txt b/doc/pair_resquared.txt index 8697ebf28a..2a8f4d5894 100755 --- a/doc/pair_resquared.txt +++ b/doc/pair_resquared.txt @@ -127,8 +127,7 @@ that type in a "pair_coeff I J" command. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance can be mixed, but only for LJ sphere pairs. The @@ -153,11 +152,6 @@ This pair style does not support the "pair_modify"_pair_modify.html tail option for adding long-range tail corrections to energy and pressure. -This pair style does not calculate per-atom energy and stress, as used -by the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style writes its information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_soft.html b/doc/pair_soft.html index d36c3c2551..092a7b575d 100644 --- a/doc/pair_soft.html +++ b/doc/pair_soft.html @@ -57,8 +57,7 @@ cutoff is used.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the Astart, Astop coefficients and cutoff distance for this pair style can be mixed. Astart and Atop are @@ -72,11 +71,6 @@ shift option, since the pair interaction is goes to 0.0 at the cutoff.
The pair_modify table and tail options are not relevant for this pair style.
-This pair style can calculate per-atom energy and stress, as used by -the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_soft.txt b/doc/pair_soft.txt index 7c5de3b4b6..dab9a024b0 100644 --- a/doc/pair_soft.txt +++ b/doc/pair_soft.txt @@ -54,8 +54,7 @@ cutoff is used. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the Astart, Astop coefficients and cutoff distance for this pair style can be mixed. Astart and Atop are @@ -69,11 +68,6 @@ shift option, since the pair interaction is goes to 0.0 at the cutoff. The "pair_modify"_pair_modify.html table and tail options are not relevant for this pair style. -This pair style can calculate per-atom energy and stress, as used by -the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style writes its information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_style.html b/doc/pair_style.html index eab0e85de0..3eb1357d91 100644 --- a/doc/pair_style.html +++ b/doc/pair_style.html @@ -56,11 +56,8 @@ type I-J interaction coefficients and adding energy offsets or tail corrections to Lennard-Jones potentials. Details on these options as they pertain to individual potentials are described on the doc page for the potential. Likewise, info on whether the potential -information is stored in a restart file or -whether the potential supports calculation of per-atom energy and -stress by the compute epair/atom and -compute stress/atom commands is given on -the potential doc page. +information is stored in a restart file is listed +on the potential doc page.
In the formulas listed for each pair style, E is the energy of a pairwise interaction between two atoms separated by a distance r. diff --git a/doc/pair_style.txt b/doc/pair_style.txt index 26d94d5154..afe71cb041 100644 --- a/doc/pair_style.txt +++ b/doc/pair_style.txt @@ -53,11 +53,8 @@ type I-J interaction coefficients and adding energy offsets or tail corrections to Lennard-Jones potentials. Details on these options as they pertain to individual potentials are described on the doc page for the potential. Likewise, info on whether the potential -information is stored in a "restart file"_write_restart.html or -whether the potential supports calculation of per-atom energy and -stress by the "compute epair/atom"_compute_epair_atom.html and -"compute stress/atom"_compute_stress_atom.html commands is given on -the potential doc page. +information is stored in a "restart file"_write_restart.html is listed +on the potential doc page. In the formulas listed for each pair style, {E} is the energy of a pairwise interaction between two atoms separated by a distance {r}. diff --git a/doc/pair_sw.html b/doc/pair_sw.html index 2905acb8da..879485dd9d 100644 --- a/doc/pair_sw.html +++ b/doc/pair_sw.html @@ -111,8 +111,7 @@ be set to 0.0 if desired.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, where types I and J correspond to two different element types, mixing is performed by LAMMPS as @@ -121,11 +120,6 @@ described above from values in the potential file.
This pair style does not support the pair_modify shift, table, and tail options.
-This pair style does not calculate per-atom energy and stress, as used -by the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style does not write its information to binary restart files, since it is stored in potential files. Thus, you need to re-specify the pair_style and pair_coeff commands in an input diff --git a/doc/pair_sw.txt b/doc/pair_sw.txt index e6cc4b3399..fbb4c9fbe1 100644 --- a/doc/pair_sw.txt +++ b/doc/pair_sw.txt @@ -108,8 +108,7 @@ be set to 0.0 if desired. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, where types I and J correspond to two different element types, mixing is performed by LAMMPS as @@ -118,11 +117,6 @@ described above from values in the potential file. This pair style does not support the "pair_modify"_pair_modify.html shift, table, and tail options. -This pair style does not calculate per-atom energy and stress, as used -by the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style does not write its information to "binary restart files"_restart.html, since it is stored in potential files. Thus, you need to re-specify the pair_style and pair_coeff commands in an input diff --git a/doc/pair_table.html b/doc/pair_table.html index 284eb13a30..e834e416c9 100644 --- a/doc/pair_table.html +++ b/doc/pair_table.html @@ -142,8 +142,7 @@ one that matches the specified keyword.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
This pair style does not support mixing. Thus, coefficients for all I,J pairs must be specified explicitly. @@ -151,11 +150,6 @@ I,J pairs must be specified explicitly.
The pair_modify shift, table, and tail options are not relevant for this pair style.
-This pair style can calculate per-atom energy and stress, as used by -the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style writes the settings for the "pair_style table" command to binary restart files, so a pair_style command does not need to specified in an input script that reads a restart file. diff --git a/doc/pair_table.txt b/doc/pair_table.txt index 9fb4fd3ad3..2b4d96d18f 100644 --- a/doc/pair_table.txt +++ b/doc/pair_table.txt @@ -139,8 +139,7 @@ one that matches the specified keyword. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: This pair style does not support mixing. Thus, coefficients for all I,J pairs must be specified explicitly. @@ -148,11 +147,6 @@ I,J pairs must be specified explicitly. The "pair_modify"_pair_modify.html shift, table, and tail options are not relevant for this pair style. -This pair style can calculate per-atom energy and stress, as used by -the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style writes the settings for the "pair_style table" command to "binary restart files"_restart.html, so a pair_style command does not need to specified in an input script that reads a restart file. diff --git a/doc/pair_tersoff.html b/doc/pair_tersoff.html index d2cd3e7f0a..cc2f78e54b 100644 --- a/doc/pair_tersoff.html +++ b/doc/pair_tersoff.html @@ -151,8 +151,7 @@ defined in various papers.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, where types I and J correspond to two different element types, mixing is performed by LAMMPS as @@ -161,11 +160,6 @@ described above from values in the potential file.
This pair style does not support the pair_modify shift, table, and tail options.
-This pair style does not calculate per-atom energy and stress, as used -by the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style does not write its information to binary restart files, since it is stored in potential files. Thus, you need to re-specify the pair_style and pair_coeff commands in an input diff --git a/doc/pair_tersoff.txt b/doc/pair_tersoff.txt index 25612c4e1a..840598dfa7 100644 --- a/doc/pair_tersoff.txt +++ b/doc/pair_tersoff.txt @@ -148,8 +148,7 @@ defined in various papers. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, where types I and J correspond to two different element types, mixing is performed by LAMMPS as @@ -158,11 +157,6 @@ described above from values in the potential file. This pair style does not support the "pair_modify"_pair_modify.html shift, table, and tail options. -This pair style does not calculate per-atom energy and stress, as used -by the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style does not write its information to "binary restart files"_restart.html, since it is stored in potential files. Thus, you need to re-specify the pair_style and pair_coeff commands in an input diff --git a/doc/pair_yukawa.html b/doc/pair_yukawa.html index 029c8c427c..660dfdfd64 100644 --- a/doc/pair_yukawa.html +++ b/doc/pair_yukawa.html @@ -46,8 +46,7 @@ cutoff is used.
Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info: +
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, the A coefficient and cutoff distance for this pair style can be mixed. A is an energy value mixed @@ -64,11 +63,6 @@ for this pair style. tail option for adding long-range tail corrections to energy and pressure.
-This pair style can calculate per-atom energy and stress, as used by -the compute epair/atom, compute -stress/atom, and dump custom -commands. -
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. diff --git a/doc/pair_yukawa.txt b/doc/pair_yukawa.txt index 476d20cf85..6828af28ca 100644 --- a/doc/pair_yukawa.txt +++ b/doc/pair_yukawa.txt @@ -43,8 +43,7 @@ cutoff is used. :line -[Mixing, shift, table, tail correction, per-atom energy/stress, -restart, rRESPA info]: +[Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, the A coefficient and cutoff distance for this pair style can be mixed. A is an energy value mixed @@ -61,11 +60,6 @@ This pair style does not support the "pair_modify"_pair_modify.html tail option for adding long-range tail corrections to energy and pressure. -This pair style can calculate per-atom energy and stress, as used by -the "compute epair/atom"_compute_epair_atom.html, "compute -stress/atom"_compute_stress_atom.html, and "dump custom"_dump.html -commands. - This pair style writes its information to "binary restart files"_restart.html, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file.