Loading doc/compute.txt +1 −0 Original line number Diff line number Diff line Loading @@ -108,6 +108,7 @@ available in LAMMPS: "centro/atom"_compute_centro_atom.html - centro-symmetry parameter for each atom "coord/atom"_compute_coord_atom.html - coordination number for each atom "damage/atom"_compute_damage_atom.html - Peridynamic damage for each atom "displace/atom"_compute_displace_atom.html - displacement of each atom "erotate/asphere"_compute_erotate_asphere.html - rotational energy of aspherical particles "erotate/sphere"_compute_erotate_sphere.html - rotational energy of spherical particles Loading doc/compute_damage_atom.html +1 −1 Original line number Diff line number Diff line Loading @@ -42,7 +42,7 @@ output options. </P> <P><B>Restrictions:</B> </P> <P>The <I>damage/peri</I> style is part of the "peri" package. It is only <P>The <I>damage/atom</I> style is part of the "peri" package. It is only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_3">Making LAMMPS</A> section for more info. </P> Loading doc/compute_damage_atom.txt +1 −1 Original line number Diff line number Diff line Loading @@ -39,7 +39,7 @@ output options. [Restrictions:] The {damage/peri} style is part of the "peri" package. It is only The {damage/atom} style is part of the "peri" package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#2_3 section for more info. Loading doc/units.html +26 −10 Original line number Diff line number Diff line Loading @@ -15,7 +15,7 @@ </P> <PRE>units style </PRE> <UL><LI>style = <I>lj</I> or <I>real</I> or <I>metal</I> or <I>si</I> <UL><LI>style = <I>lj</I> or <I>real</I> or <I>metal</I> or <I>si</I> or <I>cgs</I> </UL> <P><B>Examples:</B> </P> Loading @@ -30,9 +30,9 @@ and data file, as well as quantities output to the screen, log file, and dump files. Typically, this command is used at the very beginning of an input script. </P> <P>For <I>real</I> and <I>metal</I> units, LAMMPS uses physical constants from www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS uses the thermochemical calorie = 4.184 J. <P>For all units except <I>lj</I>, LAMMPS uses physical constants from www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS uses the thermochemical calorie = 4.184 J. </P> <P>For style <I>lj</I>, all quantities are unitless. Without loss of generality, LAMMPS sets the fundamental quantities mass, sigma, Loading Loading @@ -101,12 +101,28 @@ results from a unitless LJ simulation into physical quantities. <LI>dipole = Coulombs*meters <LI>electric field = volts/meter </UL> <P>This command also sets the timestep size and neighbor skin distance to default values for each style. For style <I>lj</I> these are dt = 0.005 tau and skin = 0.3 sigma. For style <I>real</I> these are dt = 1.0 fmsec and skin = 2.0 Angstroms. For style <I>metal</I> these are dt = 0.001 psec and skin = 2.0 Angstroms. For style <I>si</I> these are dt = 1.0e-8 sec and skin = 0.001 meters. <P>For style <I>cgs</I>, these are the units: </P> <UL><LI>mass = grams <LI>distance = centimeters <LI>time = seconds <LI>energy = ergs <LI>velocity = cm/second <LI>force = dynes <LI>temperature = degrees K <LI>pressure = dyne/cm^2 or barye = 1.0e-6 bars <LI>viscosity = Poise <LI>charge = statcoulombs or esu <LI>dipole = debye <LI>electric field = statvolt/cm or dyne/esu </UL> <P>The units command also sets the timestep size and neighbor skin distance to default values for each style. For style <I>lj</I> these are dt = 0.005 tau and skin = 0.3 sigma. For style <I>real</I> these are dt = 1.0 fmsec and skin = 2.0 Angstroms. For style <I>metal</I> these are dt = 0.001 psec and skin = 2.0 Angstroms. For style <I>si</I> these are dt = 1.0e-8 sec and skin = 0.001 meters. For style <I>cgs</I> these are dt = 1.0e-8 sec and skin = 0.1 cm. </P> <P><B>Restrictions:</B> </P> Loading doc/units.txt +26 −10 Original line number Diff line number Diff line Loading @@ -12,7 +12,7 @@ units command :h3 units style :pre style = {lj} or {real} or {metal} or {si} :ul style = {lj} or {real} or {metal} or {si} or {cgs} :ul [Examples:] Loading @@ -27,9 +27,9 @@ and data file, as well as quantities output to the screen, log file, and dump files. Typically, this command is used at the very beginning of an input script. For {real} and {metal} units, LAMMPS uses physical constants from www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS uses the thermochemical calorie = 4.184 J. For all units except {lj}, LAMMPS uses physical constants from www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS uses the thermochemical calorie = 4.184 J. For style {lj}, all quantities are unitless. Without loss of generality, LAMMPS sets the fundamental quantities mass, sigma, Loading Loading @@ -98,12 +98,28 @@ charge = Coulombs dipole = Coulombs*meters electric field = volts/meter :ul This command also sets the timestep size and neighbor skin distance to default values for each style. For style {lj} these are dt = 0.005 tau and skin = 0.3 sigma. For style {real} these are dt = 1.0 fmsec and skin = 2.0 Angstroms. For style {metal} these are dt = 0.001 psec and skin = 2.0 Angstroms. For style {si} these are dt = 1.0e-8 sec and skin = 0.001 meters. For style {cgs}, these are the units: mass = grams distance = centimeters time = seconds energy = ergs velocity = cm/second force = dynes temperature = degrees K pressure = dyne/cm^2 or barye = 1.0e-6 bars viscosity = Poise charge = statcoulombs or esu dipole = debye electric field = statvolt/cm or dyne/esu :ul The units command also sets the timestep size and neighbor skin distance to default values for each style. For style {lj} these are dt = 0.005 tau and skin = 0.3 sigma. For style {real} these are dt = 1.0 fmsec and skin = 2.0 Angstroms. For style {metal} these are dt = 0.001 psec and skin = 2.0 Angstroms. For style {si} these are dt = 1.0e-8 sec and skin = 0.001 meters. For style {cgs} these are dt = 1.0e-8 sec and skin = 0.1 cm. [Restrictions:] Loading Loading
doc/compute.txt +1 −0 Original line number Diff line number Diff line Loading @@ -108,6 +108,7 @@ available in LAMMPS: "centro/atom"_compute_centro_atom.html - centro-symmetry parameter for each atom "coord/atom"_compute_coord_atom.html - coordination number for each atom "damage/atom"_compute_damage_atom.html - Peridynamic damage for each atom "displace/atom"_compute_displace_atom.html - displacement of each atom "erotate/asphere"_compute_erotate_asphere.html - rotational energy of aspherical particles "erotate/sphere"_compute_erotate_sphere.html - rotational energy of spherical particles Loading
doc/compute_damage_atom.html +1 −1 Original line number Diff line number Diff line Loading @@ -42,7 +42,7 @@ output options. </P> <P><B>Restrictions:</B> </P> <P>The <I>damage/peri</I> style is part of the "peri" package. It is only <P>The <I>damage/atom</I> style is part of the "peri" package. It is only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_3">Making LAMMPS</A> section for more info. </P> Loading
doc/compute_damage_atom.txt +1 −1 Original line number Diff line number Diff line Loading @@ -39,7 +39,7 @@ output options. [Restrictions:] The {damage/peri} style is part of the "peri" package. It is only The {damage/atom} style is part of the "peri" package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#2_3 section for more info. Loading
doc/units.html +26 −10 Original line number Diff line number Diff line Loading @@ -15,7 +15,7 @@ </P> <PRE>units style </PRE> <UL><LI>style = <I>lj</I> or <I>real</I> or <I>metal</I> or <I>si</I> <UL><LI>style = <I>lj</I> or <I>real</I> or <I>metal</I> or <I>si</I> or <I>cgs</I> </UL> <P><B>Examples:</B> </P> Loading @@ -30,9 +30,9 @@ and data file, as well as quantities output to the screen, log file, and dump files. Typically, this command is used at the very beginning of an input script. </P> <P>For <I>real</I> and <I>metal</I> units, LAMMPS uses physical constants from www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS uses the thermochemical calorie = 4.184 J. <P>For all units except <I>lj</I>, LAMMPS uses physical constants from www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS uses the thermochemical calorie = 4.184 J. </P> <P>For style <I>lj</I>, all quantities are unitless. Without loss of generality, LAMMPS sets the fundamental quantities mass, sigma, Loading Loading @@ -101,12 +101,28 @@ results from a unitless LJ simulation into physical quantities. <LI>dipole = Coulombs*meters <LI>electric field = volts/meter </UL> <P>This command also sets the timestep size and neighbor skin distance to default values for each style. For style <I>lj</I> these are dt = 0.005 tau and skin = 0.3 sigma. For style <I>real</I> these are dt = 1.0 fmsec and skin = 2.0 Angstroms. For style <I>metal</I> these are dt = 0.001 psec and skin = 2.0 Angstroms. For style <I>si</I> these are dt = 1.0e-8 sec and skin = 0.001 meters. <P>For style <I>cgs</I>, these are the units: </P> <UL><LI>mass = grams <LI>distance = centimeters <LI>time = seconds <LI>energy = ergs <LI>velocity = cm/second <LI>force = dynes <LI>temperature = degrees K <LI>pressure = dyne/cm^2 or barye = 1.0e-6 bars <LI>viscosity = Poise <LI>charge = statcoulombs or esu <LI>dipole = debye <LI>electric field = statvolt/cm or dyne/esu </UL> <P>The units command also sets the timestep size and neighbor skin distance to default values for each style. For style <I>lj</I> these are dt = 0.005 tau and skin = 0.3 sigma. For style <I>real</I> these are dt = 1.0 fmsec and skin = 2.0 Angstroms. For style <I>metal</I> these are dt = 0.001 psec and skin = 2.0 Angstroms. For style <I>si</I> these are dt = 1.0e-8 sec and skin = 0.001 meters. For style <I>cgs</I> these are dt = 1.0e-8 sec and skin = 0.1 cm. </P> <P><B>Restrictions:</B> </P> Loading
doc/units.txt +26 −10 Original line number Diff line number Diff line Loading @@ -12,7 +12,7 @@ units command :h3 units style :pre style = {lj} or {real} or {metal} or {si} :ul style = {lj} or {real} or {metal} or {si} or {cgs} :ul [Examples:] Loading @@ -27,9 +27,9 @@ and data file, as well as quantities output to the screen, log file, and dump files. Typically, this command is used at the very beginning of an input script. For {real} and {metal} units, LAMMPS uses physical constants from www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS uses the thermochemical calorie = 4.184 J. For all units except {lj}, LAMMPS uses physical constants from www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS uses the thermochemical calorie = 4.184 J. For style {lj}, all quantities are unitless. Without loss of generality, LAMMPS sets the fundamental quantities mass, sigma, Loading Loading @@ -98,12 +98,28 @@ charge = Coulombs dipole = Coulombs*meters electric field = volts/meter :ul This command also sets the timestep size and neighbor skin distance to default values for each style. For style {lj} these are dt = 0.005 tau and skin = 0.3 sigma. For style {real} these are dt = 1.0 fmsec and skin = 2.0 Angstroms. For style {metal} these are dt = 0.001 psec and skin = 2.0 Angstroms. For style {si} these are dt = 1.0e-8 sec and skin = 0.001 meters. For style {cgs}, these are the units: mass = grams distance = centimeters time = seconds energy = ergs velocity = cm/second force = dynes temperature = degrees K pressure = dyne/cm^2 or barye = 1.0e-6 bars viscosity = Poise charge = statcoulombs or esu dipole = debye electric field = statvolt/cm or dyne/esu :ul The units command also sets the timestep size and neighbor skin distance to default values for each style. For style {lj} these are dt = 0.005 tau and skin = 0.3 sigma. For style {real} these are dt = 1.0 fmsec and skin = 2.0 Angstroms. For style {metal} these are dt = 0.001 psec and skin = 2.0 Angstroms. For style {si} these are dt = 1.0e-8 sec and skin = 0.001 meters. For style {cgs} these are dt = 1.0e-8 sec and skin = 0.1 cm. [Restrictions:] Loading
