Explicitly enable or disable CUDA support, as provided by the USER-CUDA package. Even if LAMMPS is built with this package, as described above in Section 2.3, this switch must be set to -enable running with the CUDA-enhanced styles the package provides. If +enable running with the CUDA-enabled styles the package provides. If the switch is not set (the default), LAMMPS will operate as if the USER-CUDA package were not installed; i.e. you can run standard LAMMPS or with the GPU package, for testing or benchmarking purposes. @@ -1205,7 +1205,7 @@ used.
Explicitly enable or disable KOKKOS support, as provided by the KOKKOS package. Even if LAMMPS is built with this package, as described above in Section 2.3, this switch must be set to enable -running with the KOKKOS-enhanced styles the package provides. If the +running with the KOKKOS-enabled styles the package provides. If the switch is not set (the default), LAMMPS will operate as if the KOKKOS package were not installed; i.e. you can run standard LAMMPS or with the GPU or USER-CUDA or USER-OMP packages, for testing or benchmarking diff --git a/doc/Section_start.txt b/doc/Section_start.txt index 46a01d736f..52fec57ee2 100644 --- a/doc/Section_start.txt +++ b/doc/Section_start.txt @@ -1159,7 +1159,7 @@ Here are the details on the options: Explicitly enable or disable CUDA support, as provided by the USER-CUDA package. Even if LAMMPS is built with this package, as described above in "Section 2.3"_#start_3, this switch must be set to -enable running with the CUDA-enhanced styles the package provides. If +enable running with the CUDA-enabled styles the package provides. If the switch is not set (the default), LAMMPS will operate as if the USER-CUDA package were not installed; i.e. you can run standard LAMMPS or with the GPU package, for testing or benchmarking purposes. @@ -1199,7 +1199,7 @@ used. Explicitly enable or disable KOKKOS support, as provided by the KOKKOS package. Even if LAMMPS is built with this package, as described above in "Section 2.3"_#start_3, this switch must be set to enable -running with the KOKKOS-enhanced styles the package provides. If the +running with the KOKKOS-enabled styles the package provides. If the switch is not set (the default), LAMMPS will operate as if the KOKKOS package were not installed; i.e. you can run standard LAMMPS or with the GPU or USER-CUDA or USER-OMP packages, for testing or benchmarking diff --git a/doc/compute_property_atom.html b/doc/compute_property_atom.html index bbf71ff36d..0e8b883fee 100644 --- a/doc/compute_property_atom.html +++ b/doc/compute_property_atom.html @@ -29,15 +29,17 @@ angmomx, angmomy, angmomz, shapex,shapey, shapez, quatw, quati, quatj, quatk, tqx, tqy, tqz, - spin, eradius, ervel, erforce end1x, end1y, end1z, end2x, end2y, end2z, corner1x, corner1y, corner1z, corner2x, corner2y, corner2z, corner3x, corner3y, corner3z, nbonds, + spin, eradius, ervel, erforce, ervelforce, + cs, csforce, vforce, etag, + rho, drho, e, de, cv, vestx, vesty, vestz, i_name, d_name -
id = atom ID +id = atom ID mol = molecule ID type = atom type mass = atom mass @@ -56,13 +58,28 @@ shapex,shapey,shapez = 3 diameters of aspherical particle quatw,quati,quatj,quatk = quaternion components for aspherical or body particles tqx,tqy,tqz = torque on finite-size particles + end12x, end12y, end12z = end points of line segment + corner123x, corner123y, corner123z = corner points of triangle + nbonds = number of bonds +
+PERI package per-atom properties: + vfrac = ??? + s0 = ??? +
+USER-EFF and USER-AWPMD package per-atom properties: spin = electron spin eradius = electron radius ervel = electron radial velocity erforce = electron radial force - end12x, end12y, end12z = end points of line segment - corner123x, corner123y, corner123z = corner points of triangle - nbonds = number of bonds +
+USER-SPH package per-atom properties: + rho = ??? + drho = ??? + e = ??? + de = ??? + cv = ??? +
+fix property/atom per-atom properties: i_name = custom integer vector with name d_name = custom integer vector with namediff --git a/doc/compute_property_atom.txt b/doc/compute_property_atom.txt index 0ae271ad25..1a58a26202 100644 --- a/doc/compute_property_atom.txt +++ b/doc/compute_property_atom.txt @@ -23,12 +23,14 @@ input = one or more atom attributes :l angmomx, angmomy, angmomz, shapex,shapey, shapez, quatw, quati, quatj, quatk, tqx, tqy, tqz, - spin, eradius, ervel, erforce end1x, end1y, end1z, end2x, end2y, end2z, corner1x, corner1y, corner1z, corner2x, corner2y, corner2z, corner3x, corner3y, corner3z, nbonds, + spin, eradius, ervel, erforce, ervelforce, + cs, csforce, vforce, etag, + rho, drho, e, de, cv, vestx, vesty, vestz, i_name, d_name :pre id = atom ID mol = molecule ID @@ -49,13 +51,28 @@ input = one or more atom attributes :l shapex,shapey,shapez = 3 diameters of aspherical particle quatw,quati,quatj,quatk = quaternion components for aspherical or body particles tqx,tqy,tqz = torque on finite-size particles + end12x, end12y, end12z = end points of line segment + corner123x, corner123y, corner123z = corner points of triangle + nbonds = number of bonds + + PERI package per-atom properties: + vfrac = ??? + s0 = ??? + + USER-EFF and USER-AWPMD package per-atom properties: spin = electron spin eradius = electron radius ervel = electron radial velocity erforce = electron radial force - end12x, end12y, end12z = end points of line segment - corner123x, corner123y, corner123z = corner points of triangle - nbonds = number of bonds + + USER-SPH package per-atom properties: + rho = ??? + drho = ??? + e = ??? + de = ??? + cv = ??? + + "fix property/atom"_fix_property_atom.html per-atom properties: i_name = custom integer vector with name d_name = custom integer vector with name :pre :ule diff --git a/doc/pair_buck_long.html b/doc/pair_buck_long.html index 2316d7d534..7c41f28ee9 100644 --- a/doc/pair_buck_long.html +++ b/doc/pair_buck_long.html @@ -35,7 +35,7 @@pair_style buck/long/coul/long cut off 2.5 pair_style buck/long/coul/long cut long 2.5 4.0 -pair_style buck/long/coul/long long long 2.5 4.0 +pair_style buck/long/coul/long long long 4.0 pair_coeff * * 1 1 pair_coeff 1 1 1 3 4diff --git a/doc/pair_buck_long.txt b/doc/pair_buck_long.txt index b8e96214c2..4555c8e351 100644 --- a/doc/pair_buck_long.txt +++ b/doc/pair_buck_long.txt @@ -26,7 +26,7 @@ cutoff2 = global cutoff for Coulombic (optional) (distance units) :l,ule pair_style buck/long/coul/long cut off 2.5 pair_style buck/long/coul/long cut long 2.5 4.0 -pair_style buck/long/coul/long long long 2.5 4.0 +pair_style buck/long/coul/long long long 4.0 pair_coeff * * 1 1 pair_coeff 1 1 1 3 4 :pre diff --git a/doc/pair_style.html b/doc/pair_style.html index eafbe4c59a..ed0fdee2a5 100644 --- a/doc/pair_style.html +++ b/doc/pair_style.html @@ -117,7 +117,7 @@ in the pair section of this page.