From fbfd916c6998c131132ddf95069361900898b336 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 5 Aug 2015 00:28:53 +0000 Subject: [PATCH] '' git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13836 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/doc2/Section_commands.html | 15 ++- doc/doc2/Section_packages.html | 17 ++++ doc/doc2/atom_style.html | 10 +- doc/doc2/compute_smd_contact_radius.html | 58 +++++++++++ doc/doc2/compute_smd_damage.html | 53 ++++++++++ doc/doc2/compute_smd_hourglass_error.html | 61 ++++++++++++ doc/doc2/compute_smd_internal_energy.html | 51 ++++++++++ doc/doc2/compute_smd_plastic_strain.html | 54 +++++++++++ doc/doc2/compute_smd_plastic_strain_rate.html | 54 +++++++++++ doc/doc2/compute_smd_rho.html | 54 +++++++++++ doc/doc2/compute_smd_tlsph_defgrad.html | 57 +++++++++++ doc/doc2/compute_smd_tlsph_dt.html | 59 ++++++++++++ doc/doc2/compute_smd_tlsph_num_neighs.html | 55 +++++++++++ doc/doc2/compute_smd_tlsph_shape.html | 57 +++++++++++ doc/doc2/compute_smd_tlsph_strain.html | 58 +++++++++++ doc/doc2/compute_smd_tlsph_strain_rate.html | 57 +++++++++++ doc/doc2/compute_smd_tlsph_stress.html | 58 +++++++++++ .../compute_smd_triangle_mesh_vertices.html | 64 +++++++++++++ doc/doc2/compute_smd_ulsph_num_neighs.html | 53 ++++++++++ doc/doc2/compute_smd_ulsph_strain.html | 56 +++++++++++ doc/doc2/compute_smd_ulsph_strain_rate.html | 56 +++++++++++ doc/doc2/compute_smd_ulsph_stress.html | 57 +++++++++++ doc/doc2/compute_smd_vol.html | 57 +++++++++++ doc/doc2/fix_gcmc.html | 18 ++-- doc/doc2/fix_smd_adjust_dt.html | 63 ++++++++++++ doc/doc2/fix_smd_integrate_tlsph.html | 59 ++++++++++++ doc/doc2/fix_smd_integrate_ulsph.html | 63 ++++++++++++ .../fix_smd_move_triangulated_surface.html | 81 ++++++++++++++++ doc/doc2/fix_smd_setvel.html | 96 +++++++++++++++++++ ...fix_smd_tlsph_reference_configuration.html | 2 + doc/doc2/fix_smd_wall_surface.html | 68 +++++++++++++ doc/doc2/pair_smd_hertz.html | 60 ++++++++++++ doc/doc2/pair_smd_tlsph.html | 70 ++++++++++++++ doc/doc2/pair_smd_triangulated_surface.html | 61 ++++++++++++ doc/doc2/pair_smd_ulsph.html | 76 +++++++++++++++ doc/doc2/prd.html | 8 +- doc/doc2/read_data.html | 3 + doc/doc2/set.html | 27 ++++-- 38 files changed, 1898 insertions(+), 28 deletions(-) create mode 100644 doc/doc2/compute_smd_contact_radius.html create mode 100644 doc/doc2/compute_smd_damage.html create mode 100644 doc/doc2/compute_smd_hourglass_error.html create mode 100644 doc/doc2/compute_smd_internal_energy.html create mode 100644 doc/doc2/compute_smd_plastic_strain.html create mode 100644 doc/doc2/compute_smd_plastic_strain_rate.html create mode 100644 doc/doc2/compute_smd_rho.html create mode 100644 doc/doc2/compute_smd_tlsph_defgrad.html create mode 100644 doc/doc2/compute_smd_tlsph_dt.html create mode 100644 doc/doc2/compute_smd_tlsph_num_neighs.html create mode 100644 doc/doc2/compute_smd_tlsph_shape.html create mode 100644 doc/doc2/compute_smd_tlsph_strain.html create mode 100644 doc/doc2/compute_smd_tlsph_strain_rate.html create mode 100644 doc/doc2/compute_smd_tlsph_stress.html create mode 100644 doc/doc2/compute_smd_triangle_mesh_vertices.html create mode 100644 doc/doc2/compute_smd_ulsph_num_neighs.html create mode 100644 doc/doc2/compute_smd_ulsph_strain.html create mode 100644 doc/doc2/compute_smd_ulsph_strain_rate.html create mode 100644 doc/doc2/compute_smd_ulsph_stress.html create mode 100644 doc/doc2/compute_smd_vol.html create mode 100644 doc/doc2/fix_smd_adjust_dt.html create mode 100644 doc/doc2/fix_smd_integrate_tlsph.html create mode 100644 doc/doc2/fix_smd_integrate_ulsph.html create mode 100644 doc/doc2/fix_smd_move_triangulated_surface.html create mode 100644 doc/doc2/fix_smd_setvel.html create mode 100644 doc/doc2/fix_smd_tlsph_reference_configuration.html create mode 100644 doc/doc2/fix_smd_wall_surface.html create mode 100644 doc/doc2/pair_smd_hertz.html create mode 100644 doc/doc2/pair_smd_tlsph.html create mode 100644 doc/doc2/pair_smd_triangulated_surface.html create mode 100644 doc/doc2/pair_smd_ulsph.html diff --git a/doc/doc2/Section_commands.html b/doc/doc2/Section_commands.html index 8a8444e6ad..427f4b8253 100644 --- a/doc/doc2/Section_commands.html +++ b/doc/doc2/Section_commands.html @@ -438,8 +438,9 @@ package. langevin/efflb/fluidlb/momentumlb/pclb/rigid/pc/spherelb/viscous mesomeso/stationarynph/effnpt/effnve/effnvt/eff nvt/sllod/effphononpimdqbmsstqeq/reaxqmmm -qtbreax/c/bondsreax/c/speciessaed/vtksmdtemp/rescale/eff -ti/rsti/springttm/mod +qtbreax/c/bondsreax/c/speciessaed/vtksmdsmd/adjust/dt +smd/integrate/tlsphsmd/integrate/ulsphsmd/move/triangulated/surfacesmd/setvelsmd/tlsph/reference/configurationsmd/wall/surface +temp/rescale/effti/rsti/springttm/mod
@@ -474,8 +475,11 @@ package.

- - + + + +
ackland/atombasal/atomfepke/effke/atom/effmeso_e/atom
meso_rho/atommeso_t/atomsaedtemp/drudetemp/efftemp/deform/eff
temp/region/efftemp/rotatexrd +
meso_rho/atommeso_t/atomsaedsmd/contact/radiussmd/damagesmd/hourglass/error
smd/internal/energysmd/plastic/strainsmd/plastic/strain/ratesmd/rhosmd/tlsph/defgradsmd/tlsph/dt
smd/tlsph/num/neighssmd/tlsph/shapesmd/tlsph/strainsmd/tlsph/strain/ratesmd/tlsph/stresssmd/triangle/mesh/vertices
smd/ulsph/num/neighssmd/ulsph/strainsmd/ulsph/strain/ratesmd/ulpsh/stresssmd/voltemp/drude
temp/efftemp/deform/efftemp/region/efftemp/rotatexrd
@@ -530,7 +534,8 @@ package. listlj/charmm/coul/long/soft (o)lj/cut/coul/cut/soft (o)lj/cut/coul/long/soft (o) lj/cut/dipole/sf (go)lj/cut/soft (o)lj/cut/tip4p/long/soft (o)lj/sdk (gko) lj/sdk/coul/long (go)lj/sdk/coul/msm (o)lj/sf (o)meam/spline -meam/sw/splinequipreax/csph/heatconduction +meam/sw/splinequipreax/csmd/hertz +smd/tlsphsmd/triangulated/surfacesmd/ulsphsph/heatconduction sph/idealgassph/ljsph/rhosumsph/taitwater sph/taitwater/morrissrptersoff/table (o)thole tip4p/long/soft (o) diff --git a/doc/doc2/Section_packages.html b/doc/doc2/Section_packages.html index 4b9bd92756..9f91d29dd7 100644 --- a/doc/doc2/Section_packages.html +++ b/doc/doc2/Section_packages.html @@ -140,6 +140,7 @@ on how to build LAMMPS with both kinds of auxiliary libraries. USER-QTB quantum nuclear effects Yuan Shen (Stanford) fix qtb fix_qbmsst qtb - - USER-QUIP QUIP/libatoms interface Albert Bartok-Partay (U Cambridge) pair_style quip USER/quip - lib/quip USER-REAXC C version of ReaxFF Metin Aktulga (LBNL) pair_style reaxc reax - - +USER-SMD smoothed Mach dynamics Georg Ganzenmuller (EMI) userguide.pdf USER/smd - - USER-SPH smoothed particle hydrodynamics Georg Ganzenmuller (EMI) userguide.pdf USER/sph sph - @@ -639,6 +640,22 @@ questions.

+

USER-SMD package +

+

This package implements smoothed Mach dynamics (SMD) in +LAMMPS. Currently, the package has the following features: +

+

??? +

+

See the file doc/USER/smd/SPH_user_guide.pdf to get started. +

+

There are example scripts for using this package in examples/USER/smd. +

+

The person who created this package is Georg Ganzenmuller at the +Fraunhofer-Institute for High-Speed Dynamics, Ernst Mach Institute in +Germany (georg.ganzenmueller at emi.fhg.de). Contact him directly if +you have questions. +

USER-SPH package

This package implements smoothed particle hydrodynamics (SPH) in diff --git a/doc/doc2/atom_style.html b/doc/doc2/atom_style.html index 6c690b135f..a8a9cc45d8 100644 --- a/doc/doc2/atom_style.html +++ b/doc/doc2/atom_style.html @@ -15,7 +15,7 @@ 

atom_style style args
-

The units for these quantities depend on the unit style; see the units command for details. diff --git a/doc/doc2/set.html b/doc/doc2/set.html index e314b1f62c..1d5aa86924 100644 --- a/doc/doc2/set.html +++ b/doc/doc2/set.html @@ -23,7 +23,7 @@

  • keyword = type or type/fraction or mol or x or y or z or charge or dipole or dipole/random or quat or quat/random or diameter or shape or length or tri or theta or angmom or mass or density or volume or image or bond or angle or dihedral or improper or - meso_e or meso_cv or meso_rho or i_name or d_name + meso_e or meso_cv or meso_rho or smd_contact_radius or smd_mass_density or i_name or d_name 
      type value = atom type
     value can be an atom-style variable (see below)
@@ -83,10 +83,12 @@
     value can be an atom-style variable (see below)
   meso_rho value = density of SPH particles (need units)
     value can be an atom-style variable (see below)
-  i_name value = value for custom integer vector with name
-    value can be an atom-style variable (see below)
-  d_name value = value for custom floating-point vector with name
+  smd_contact_radius = radius for short range interactions, i.e. contact and friction
     value can be an atom-style variable (see below) 
+  smd_mass_density = set particle mass based on volume by providing a mass density
+    value can be an atom-style variable (see below)
+  i_name value = value for custom integer vector with name
+  d_name value = value for custom floating-point vector with name
    @@ -316,6 +318,20 @@ assumed to be in mass/distance^2 units). If none of these cases are valid, then the mass is set to the density value directly (the input density is assumed to be in mass units).

    +

    Keyword smd_mass_density also sets the mass of all selected +particles, but it is only applicable to the Smooth Mach Dynamics +package USER-SMD. This command assumes that the particle volume has +already been correctly set and calculates particle mass from the +provided mass density value. +

    +

    Keyword smd_contact_radius only applies to simulations with the +Smooth Mach Dynamics package USER-SMD. This command sets an +interaction radius for computing short-range interactions, +e.g. repulsive forces to prevent different individual physical bodies +from penetrating each other. Note that the SPH smoothing kernel +diameter used for computing long range, nonlocal interactions, is set +using the diameter keyword. +

    Keyword volume sets the volume of all selected particles. Currently, only the atom_style peri command defines particles with a volume attribute. Note that this command does not @@ -331,8 +347,7 @@ the simulation. The flags can be output with atom snapshots via the nx,ny,nz, then the current image value for that dimension is unchanged. For non-periodic dimensions only a value of 0 can be specified. This keyword does not allow use of atom-style variables. -

    -

    This command can be useful after a system has been equilibrated and +This command can be useful after a system has been equilibrated and atoms have diffused one or more box lengths in various directions. This command can then reset the image values for atoms so that they are effectively inside the simulation box, e.g if a diffusion