Loading doc/src/JPG/uef_frames.jpg 0 → 100644 +12 KiB Loading image diff... doc/src/Section_commands.txt +2 −2 Original line number Diff line number Diff line Loading @@ -715,13 +715,13 @@ package"_Section_start.html#start_3. "nve/manifold/rattle"_fix_nve_manifold_rattle.html, "nvk"_fix_nvk.html, "nvt/manifold/rattle"_fix_nvt_manifold_rattle.html, "nvt/uef"_fix_nh_uef.html, "nph/eff"_fix_nh_eff.html, "npt/eff"_fix_nh_eff.html, "npt/uef"_fix_nh_uef.html, "nve/eff"_fix_nve_eff.html, "nvt/eff"_fix_nh_eff.html, "nvt/sllod/eff"_fix_nvt_sllod_eff.html, "npt/uef"_fix_nh_uef.html, "nvt/uef"_fix_nh_uef.html, "phonon"_fix_phonon.html, "pimd"_fix_pimd.html, "qbmsst"_fix_qbmsst.html, Loading doc/src/Section_packages.txt +5 −2 Original line number Diff line number Diff line Loading @@ -150,7 +150,7 @@ Package, Description, Doc page, Example, Library "USER-SMTBQ"_#USER-SMTBQ, second moment tight binding QEq potential,"pair_style smtbq"_pair_smtbq.html, USER/smtbq, - "USER-SPH"_#USER-SPH, smoothed particle hydrodynamics,"SPH User Guide"_PDF/SPH_LAMMPS_userguide.pdf, USER/sph, - "USER-TALLY"_#USER-TALLY, pairwise tally computes,"compute XXX/tally"_compute_tally.html, USER/tally, - "USER-UEF"_#USER-UEF, NEMD under extensional flow,"fix nvt/uef"_fix_nh_uef.html, USER/uef, - "USER-UEF"_#USER-UEF, extensional flow,"fix nvt/uef"_fix_nh_uef.html, USER/uef, - "USER-VTK"_#USER-VTK, dump output via VTK, "compute vtk"_dump_vtk.html, -, ext :tb(ea=c,ca1=l) :line Loading Loading @@ -2771,7 +2771,7 @@ examples/USER/tally :ul :line UEF package :link(UEF),h4 USER-UEF package :link(USER-UEF),h4 [Contents:] Loading @@ -2779,6 +2779,8 @@ A fix style for the integration of the equations of motion under extensional flow with proper boundary conditions, as well as several supporting compute styles and an output option. [Author:] David Nicholson (MIT). [Install or un-install:] make yes-user-uef Loading @@ -2790,6 +2792,7 @@ make machine :pre [Supporting info:] src/USER-UEF: filenames -> commands src/USER-UEF/README "fix nvt/uef"_fix_nh_uef.html "compute pressure/uef"_compute_pressure_uef.html "compute temp/uef"_compute_temp_uef.html Loading doc/src/compute_pressure_uef.txt 0 → 100644 +61 −0 Original line number Diff line number Diff line "LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Section_commands.html#comm) :line compute pressure/uef command :h3 [Syntax:] compute ID group-ID pressure/uef temp-ID keyword ... :pre ID, group-ID are documented in "compute"_compute.html command pressure = style name of this compute command temp-ID = ID of compute that calculates temperature, can be NULL if not needed zero or more keywords may be appended keyword = {ke} or {pair} or {bond} or {angle} or {dihedral} or {improper} or {kspace} or {fix} or {virial} :ul [Examples:] compute 1 all pressure/uef my_temp_uef compute 2 all pressure/uef my_temp_uef virial :pre [Description:] This command is used to compute the pressure tensor in the reference frame of the applied flow field when "fix nvt/uef"_fix_nh_uef.html" or "fix npt/uef"_fix_nh_uef.html" is used. It is not necessary to use this command to compute the scalar value of the pressure. A "compute pressure"_compute_pressure.html may be used for that purpose. The keywords and output information are documented in "compute_pressure"_compute_pressure.html. [Restrictions:] This fix is part of the USER-UEF package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. This command can only be used when "fix nvt/uef"_fix_nh_uef.html or "fix npt/uef"_fix_nh_uef.html is active. The kinetic contribution to the pressure tensor will be accurate only when the compute specificed by {temp-ID} is a "compute temp/uef"_compute_temp_uef.html. [Related commands:] "compute pressure"_compute_pressure.html, "fix nvt/uef"_fix_nh_uef.html, "compute temp/uef"_compute_temp_uef.html [Default:] none doc/src/compute_temp_uef.txt +9 −9 Original line number Diff line number Diff line Loading @@ -6,12 +6,11 @@ :line compute temp command :h3 compute temp/kk command :h3 compute temp/uef command :h3 [Syntax:] compute ID group-ID temp :pre compute ID group-ID temp/uef :pre ID, group-ID are documented in "compute"_compute.html command temp = style name of this compute command :ul Loading @@ -19,17 +18,18 @@ temp = style name of this compute command :ul [Examples:] compute 1 all temp/uef compute 2 sel temp/uef :pre [Description:] This command is used to compute the kinetic energy tensor in the correct reference frame when the USER-UEF package is used. the reference frame of the applied flow field when "fix nvt/uef"_fix_nh_uef.html" or "fix npt/uef"_fix_nh_uef.html" is used. It is not necessary to use this command to compute the scalar value of the temperature. A "compute temp"_compute_temp.html may be used for that purpose. [Output info:] Output information for this command can be found in the documentation for "compute temp"_compute_temp.html. Loading @@ -37,13 +37,13 @@ documentation for "compute temp"_compute_temp.html. This fix is part of the USER-UEF package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start-3 section for more info. "Making LAMMPS"_Section_start.html#start_3 section for more info. This command can only be used when "fix nvt/uef"_fix_nh_uef.html or "fix npt/uef"_fix_nh_uef.html is active. [Related commands:] "compute temp"_compute_temp.html, "fix nvt/uef"_fix_nh_uef.html, "compute pressure/uef"_compute_pressure_uef.html Loading Loading
doc/src/Section_commands.txt +2 −2 Original line number Diff line number Diff line Loading @@ -715,13 +715,13 @@ package"_Section_start.html#start_3. "nve/manifold/rattle"_fix_nve_manifold_rattle.html, "nvk"_fix_nvk.html, "nvt/manifold/rattle"_fix_nvt_manifold_rattle.html, "nvt/uef"_fix_nh_uef.html, "nph/eff"_fix_nh_eff.html, "npt/eff"_fix_nh_eff.html, "npt/uef"_fix_nh_uef.html, "nve/eff"_fix_nve_eff.html, "nvt/eff"_fix_nh_eff.html, "nvt/sllod/eff"_fix_nvt_sllod_eff.html, "npt/uef"_fix_nh_uef.html, "nvt/uef"_fix_nh_uef.html, "phonon"_fix_phonon.html, "pimd"_fix_pimd.html, "qbmsst"_fix_qbmsst.html, Loading
doc/src/Section_packages.txt +5 −2 Original line number Diff line number Diff line Loading @@ -150,7 +150,7 @@ Package, Description, Doc page, Example, Library "USER-SMTBQ"_#USER-SMTBQ, second moment tight binding QEq potential,"pair_style smtbq"_pair_smtbq.html, USER/smtbq, - "USER-SPH"_#USER-SPH, smoothed particle hydrodynamics,"SPH User Guide"_PDF/SPH_LAMMPS_userguide.pdf, USER/sph, - "USER-TALLY"_#USER-TALLY, pairwise tally computes,"compute XXX/tally"_compute_tally.html, USER/tally, - "USER-UEF"_#USER-UEF, NEMD under extensional flow,"fix nvt/uef"_fix_nh_uef.html, USER/uef, - "USER-UEF"_#USER-UEF, extensional flow,"fix nvt/uef"_fix_nh_uef.html, USER/uef, - "USER-VTK"_#USER-VTK, dump output via VTK, "compute vtk"_dump_vtk.html, -, ext :tb(ea=c,ca1=l) :line Loading Loading @@ -2771,7 +2771,7 @@ examples/USER/tally :ul :line UEF package :link(UEF),h4 USER-UEF package :link(USER-UEF),h4 [Contents:] Loading @@ -2779,6 +2779,8 @@ A fix style for the integration of the equations of motion under extensional flow with proper boundary conditions, as well as several supporting compute styles and an output option. [Author:] David Nicholson (MIT). [Install or un-install:] make yes-user-uef Loading @@ -2790,6 +2792,7 @@ make machine :pre [Supporting info:] src/USER-UEF: filenames -> commands src/USER-UEF/README "fix nvt/uef"_fix_nh_uef.html "compute pressure/uef"_compute_pressure_uef.html "compute temp/uef"_compute_temp_uef.html Loading
doc/src/compute_pressure_uef.txt 0 → 100644 +61 −0 Original line number Diff line number Diff line "LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Section_commands.html#comm) :line compute pressure/uef command :h3 [Syntax:] compute ID group-ID pressure/uef temp-ID keyword ... :pre ID, group-ID are documented in "compute"_compute.html command pressure = style name of this compute command temp-ID = ID of compute that calculates temperature, can be NULL if not needed zero or more keywords may be appended keyword = {ke} or {pair} or {bond} or {angle} or {dihedral} or {improper} or {kspace} or {fix} or {virial} :ul [Examples:] compute 1 all pressure/uef my_temp_uef compute 2 all pressure/uef my_temp_uef virial :pre [Description:] This command is used to compute the pressure tensor in the reference frame of the applied flow field when "fix nvt/uef"_fix_nh_uef.html" or "fix npt/uef"_fix_nh_uef.html" is used. It is not necessary to use this command to compute the scalar value of the pressure. A "compute pressure"_compute_pressure.html may be used for that purpose. The keywords and output information are documented in "compute_pressure"_compute_pressure.html. [Restrictions:] This fix is part of the USER-UEF package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. This command can only be used when "fix nvt/uef"_fix_nh_uef.html or "fix npt/uef"_fix_nh_uef.html is active. The kinetic contribution to the pressure tensor will be accurate only when the compute specificed by {temp-ID} is a "compute temp/uef"_compute_temp_uef.html. [Related commands:] "compute pressure"_compute_pressure.html, "fix nvt/uef"_fix_nh_uef.html, "compute temp/uef"_compute_temp_uef.html [Default:] none
doc/src/compute_temp_uef.txt +9 −9 Original line number Diff line number Diff line Loading @@ -6,12 +6,11 @@ :line compute temp command :h3 compute temp/kk command :h3 compute temp/uef command :h3 [Syntax:] compute ID group-ID temp :pre compute ID group-ID temp/uef :pre ID, group-ID are documented in "compute"_compute.html command temp = style name of this compute command :ul Loading @@ -19,17 +18,18 @@ temp = style name of this compute command :ul [Examples:] compute 1 all temp/uef compute 2 sel temp/uef :pre [Description:] This command is used to compute the kinetic energy tensor in the correct reference frame when the USER-UEF package is used. the reference frame of the applied flow field when "fix nvt/uef"_fix_nh_uef.html" or "fix npt/uef"_fix_nh_uef.html" is used. It is not necessary to use this command to compute the scalar value of the temperature. A "compute temp"_compute_temp.html may be used for that purpose. [Output info:] Output information for this command can be found in the documentation for "compute temp"_compute_temp.html. Loading @@ -37,13 +37,13 @@ documentation for "compute temp"_compute_temp.html. This fix is part of the USER-UEF package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start-3 section for more info. "Making LAMMPS"_Section_start.html#start_3 section for more info. This command can only be used when "fix nvt/uef"_fix_nh_uef.html or "fix npt/uef"_fix_nh_uef.html is active. [Related commands:] "compute temp"_compute_temp.html, "fix nvt/uef"_fix_nh_uef.html, "compute pressure/uef"_compute_pressure_uef.html Loading
