LAMMPS Documentation¶
Version info:¶
@@ -422,7 +422,7 @@ it gives quick access to documentation for all LAMMPS commands. @@ -338,7 +338,7 @@ occurs, the faster your simulation will run. @@ -367,7 +367,7 @@ storage by a single MPI process. @@ -428,7 +428,7 @@ supported. @@ -586,7 +586,7 @@ change in the future. @@ -303,7 +303,7 @@ MPI tasks to a (multi-core) socket, should solve this issue. @@ -205,7 +205,7 @@ of a run. On most machines for reasonable problem sizes, it will be a @@ -152,7 +152,7 @@ angle_coeff 1 300.0 107.0 50.0 3.0with an additional Urey_Bradley term based on the distance r between the 1st and 3rd atoms in the angle. K, theta0, Kub, and Rub are coefficients defined for each angle type.
-See (MacKerell) for a description of the CHARMM force +
See (MacKerell) for a description of the CHARMM force field.
The following coefficients must be defined for each angle type via the angle_coeff command as in the example above, or in @@ -230,7 +230,7 @@ Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).
@@ -151,7 +151,7 @@ angle_coeff * ba 3.6551 24.895 1.0119 1.5228where Ea is the angle term, Ebb is a bond-bond term, and Eba is a bond-angle term. Theta0 is the equilibrium angle and r1 and r2 are the equilibrium bond lengths.
-See (Sun) for a description of the COMPASS class2 force field.
+See (Sun) for a description of the COMPASS class2 force field.
Coefficients for the Ea, Ebb, and Eba formulas must be defined for each angle type via the angle_coeff command as in the example above, or in the data file or restart files read by the @@ -257,7 +257,7 @@ for more info on packages.
@@ -245,7 +245,7 @@ set, either in the input script or in a data file. @@ -215,7 +215,7 @@ MOLECULE package (which it is by default). See the var DOCUMENTATION_OPTIONS = { URL_ROOT:'./', - VERSION:'15 Dec 2015', + VERSION:'17 Dec 2015', COLLAPSE_INDEX:false, FILE_SUFFIX:'.html', HAS_SOURCE: true diff --git a/doc/angle_cosine_delta.html b/doc/angle_cosine_delta.html index ed7a2cbfd9..ac0a5262ff 100644 --- a/doc/angle_cosine_delta.html +++ b/doc/angle_cosine_delta.html @@ -8,7 +8,7 @@ -
where C, B and n are coefficients defined for each angle type.
-See (Mayo) for a description of the DREIDING force field
+See (Mayo) for a description of the DREIDING force field
The following coefficients must be defined for each angle type via the
angle_coeff command as in the example above, or in
the data file or restart files read by the read_data
@@ -229,7 +229,7 @@ MOLECULE package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/angle_cosine_shift.html b/doc/angle_cosine_shift.html
index 5e61e04759..cc3957f2bb 100644
--- a/doc/angle_cosine_shift.html
+++ b/doc/angle_cosine_shift.html
@@ -8,7 +8,7 @@
-
The rounded/polygon body style represents body particles as a convex polygon with a variable number N > 2 of vertices, which can only be used for 2d models. One example use of this body style is for 2d -discrete element models, as described in Fraige. Similar to +discrete element models, as described in Fraige. Similar to body style nparticle, the atom_style body command for this body style takes two additional arguments:
atom_style body rounded/polygon Nmin Nmax
@@ -418,7 +418,7 @@ Particuology, 6, 455 (2008).
@@ -147,7 +147,7 @@ bond_coeff 1 1.0 100.0 80.0 80.0
The class2 bond style uses the potential
where r0 is the equilibrium bond distance.
-See (Sun) for a description of the COMPASS class2 force field.
+See (Sun) for a description of the COMPASS class2 force field.
The following coefficients must be defined for each bond type via the
bond_coeff command as in the example above, or in
the data file or restart files read by the read_data
@@ -222,7 +222,7 @@ for more info on packages.
@@ -242,7 +242,7 @@ either in the input script or in a data file.
@@ -150,7 +150,7 @@ bond_coeff 1 30.0 1.5 1.0 1.0
The fene bond style uses the potential
to define a finite extensible nonlinear elastic (FENE) potential
-(Kremer), used for bead-spring polymer models. The first
+(Kremer), used for bead-spring polymer models. The first
term is attractive, the 2nd Lennard-Jones term is repulsive. The
first term extends to R0, the maximum extent of the bond. The 2nd
term is cutoff at 2^(1/6) sigma, the minimum of the LJ potential.
@@ -230,7 +230,7 @@ style. LAMMPS will issue a warning it that’s not the case.
@@ -147,7 +147,7 @@ bond_coeff 1 30.0 1.5 1.0 1.0 0.5
The fene/expand bond style uses the potential
to define a finite extensible nonlinear elastic (FENE) potential
-(Kremer), used for bead-spring polymer models. The first
+(Kremer), used for bead-spring polymer models. The first
term is attractive, the 2nd Lennard-Jones term is repulsive.
The fene/expand bond style is similar to fene except that an extra
shift factor of delta (positive or negative) is added to r to
@@ -231,7 +231,7 @@ style. LAMMPS will issue a warning it that’s not the case.
@@ -220,7 +220,7 @@ MOLECULE package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/bond_harmonic_shift.html b/doc/bond_harmonic_shift.html
index d3b91dd2c9..6875cb4aa1 100644
--- a/doc/bond_harmonic_shift.html
+++ b/doc/bond_harmonic_shift.html
@@ -8,7 +8,7 @@
- bond_style harmonic/shift command — LAMMPS 15 Dec 2015 documentation
+ bond_style harmonic/shift command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -222,7 +222,7 @@ section for more info on packages.
@@ -223,7 +223,7 @@ section for more info on packages.
@@ -223,7 +223,7 @@ file, you need to re-specify bond_coeff commands.
@@ -218,7 +218,7 @@ MOLECULE package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/bond_none.html b/doc/bond_none.html
index fba175c854..0361cf6020 100644
--- a/doc/bond_none.html
+++ b/doc/bond_none.html
@@ -8,7 +8,7 @@
- bond_style none command — LAMMPS 15 Dec 2015 documentation
+ bond_style none command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -184,7 +184,7 @@ pairs of bonded atoms were listed in the data file read by the
@@ -220,7 +220,7 @@ MOLECULE package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/bond_quartic.html b/doc/bond_quartic.html
index 434f1ea260..893316add7 100644
--- a/doc/bond_quartic.html
+++ b/doc/bond_quartic.html
@@ -8,7 +8,7 @@
- bond_style quartic command — LAMMPS 15 Dec 2015 documentation
+ bond_style quartic command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -252,7 +252,7 @@ dihedral, etc) cannot be used with quartic bonds.
@@ -251,7 +251,7 @@ package.
@@ -290,7 +290,7 @@ MOLECULE package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/boundary.html b/doc/boundary.html
index 0a81863fed..4a71c85a88 100644
--- a/doc/boundary.html
+++ b/doc/boundary.html
@@ -8,7 +8,7 @@
- boundary command — LAMMPS 15 Dec 2015 documentation
+ boundary command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -248,7 +248,7 @@ of lost atoms.
@@ -212,7 +212,7 @@ error.
@@ -466,7 +466,7 @@ change_box command is issued, so long as an
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/clear.html b/doc/clear.html
index 85c5290c37..c23347927e 100644
--- a/doc/clear.html
+++ b/doc/clear.html
@@ -8,7 +8,7 @@
- clear command — LAMMPS 15 Dec 2015 documentation
+ clear command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -192,7 +192,7 @@ input script variables (v
@@ -307,7 +307,7 @@ cutoff = pairwise force cutoff + neighbor skin.
@@ -217,7 +217,7 @@ commands. The decomposition can be changed via the
@@ -395,7 +395,7 @@ section of
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_ackland_atom.html b/doc/compute_ackland_atom.html
index 37524370a9..382fa5c09b 100644
--- a/doc/compute_ackland_atom.html
+++ b/doc/compute_ackland_atom.html
@@ -8,7 +8,7 @@
- compute ackland/atom command — LAMMPS 15 Dec 2015 documentation
+ compute ackland/atom command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -218,7 +218,7 @@ integers defined above.
@@ -226,7 +226,7 @@ be in energy units.
@@ -236,7 +236,7 @@ mass-velocity-distance units
@@ -216,7 +216,7 @@ well-defined basal plane.
@@ -241,7 +241,7 @@ options.
@@ -234,7 +234,7 @@ output for eng will be in energy
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_centro_atom.html b/doc/compute_centro_atom.html
index 2a356f265b..a0bad8e4f3 100644
--- a/doc/compute_centro_atom.html
+++ b/doc/compute_centro_atom.html
@@ -8,7 +8,7 @@
- compute centro/atom command — LAMMPS 15 Dec 2015 documentation
+ compute centro/atom command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -263,7 +263,7 @@ of 12.
@@ -719,7 +719,7 @@ the restarted simulation begins.
@@ -226,7 +226,7 @@ LAMMPS output options.
@@ -238,7 +238,7 @@ above.
@@ -210,7 +210,7 @@ distance units.
@@ -234,7 +234,7 @@ distance units.
@@ -203,7 +203,7 @@ above.
@@ -242,7 +242,7 @@ explained above.
@@ -206,7 +206,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_dihedral_local.html b/doc/compute_dihedral_local.html
index d330295936..76add48836 100644
--- a/doc/compute_dihedral_local.html
+++ b/doc/compute_dihedral_local.html
@@ -8,7 +8,7 @@
- compute dihedral/local command — LAMMPS 15 Dec 2015 documentation
+ compute dihedral/local command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -219,7 +219,7 @@ options.
@@ -208,7 +208,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_displace_atom.html b/doc/compute_displace_atom.html
index 07748d6b11..d085b1cd31 100644
--- a/doc/compute_displace_atom.html
+++ b/doc/compute_displace_atom.html
@@ -8,7 +8,7 @@
- compute displace/atom command — LAMMPS 15 Dec 2015 documentation
+ compute displace/atom command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -222,7 +222,7 @@ options.
@@ -216,7 +216,7 @@ particles.
@@ -208,7 +208,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_erotate_sphere.html b/doc/compute_erotate_sphere.html
index b1fcc26544..62f60b57a2 100644
--- a/doc/compute_erotate_sphere.html
+++ b/doc/compute_erotate_sphere.html
@@ -8,7 +8,7 @@
- compute erotate/sphere command — LAMMPS 15 Dec 2015 documentation
+ compute erotate/sphere command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -208,7 +208,7 @@ contribute to the rotational energy.
@@ -207,7 +207,7 @@ LAMMPS output options.
@@ -214,7 +214,7 @@ for more info on packages.
@@ -413,7 +413,7 @@ Liquids, Oxford University Press (1987)
@@ -261,7 +261,7 @@ The ewald and pppm styles do.
@@ -222,7 +222,7 @@ distance^2 units re
@@ -253,7 +253,7 @@ represented by the formula above.
@@ -336,7 +336,7 @@ print "average conductivity: $k[W/mK] @ $T K, ${ndens} /A^3"
@@ -262,7 +262,7 @@ options.
@@ -219,7 +219,7 @@ options.
@@ -235,7 +235,7 @@ mass*distance^2 units
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_ke.html b/doc/compute_ke.html
index be06fb30f4..65b5da6d11 100644
--- a/doc/compute_ke.html
+++ b/doc/compute_ke.html
@@ -8,7 +8,7 @@
- compute ke command — LAMMPS 15 Dec 2015 documentation
+ compute ke command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -211,7 +211,7 @@ scalar value will be in energy <
@@ -200,7 +200,7 @@ LAMMPS output options.
@@ -225,7 +225,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_ke_eff.html b/doc/compute_ke_eff.html
index 9544969d33..cbbe46d9cb 100644
--- a/doc/compute_ke_eff.html
+++ b/doc/compute_ke_eff.html
@@ -8,7 +8,7 @@
- compute ke/eff command — LAMMPS 15 Dec 2015 documentation
+ compute ke/eff command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -223,7 +223,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_ke_rigid.html b/doc/compute_ke_rigid.html
index 5725a592b5..62910ced6a 100644
--- a/doc/compute_ke_rigid.html
+++ b/doc/compute_ke_rigid.html
@@ -8,7 +8,7 @@
- compute ke/rigid command — LAMMPS 15 Dec 2015 documentation
+ compute ke/rigid command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -206,7 +206,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_meso_e_atom.html b/doc/compute_meso_e_atom.html
index d9aff34f6e..11eb24cdf7 100644
--- a/doc/compute_meso_e_atom.html
+++ b/doc/compute_meso_e_atom.html
@@ -8,7 +8,7 @@
- compute meso_e/atom command — LAMMPS 15 Dec 2015 documentation
+ compute meso_e/atom command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -203,7 +203,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_meso_rho_atom.html b/doc/compute_meso_rho_atom.html
index dbc1db535a..b650d453bd 100644
--- a/doc/compute_meso_rho_atom.html
+++ b/doc/compute_meso_rho_atom.html
@@ -8,7 +8,7 @@
- compute meso_rho/atom command — LAMMPS 15 Dec 2015 documentation
+ compute meso_rho/atom command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -203,7 +203,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_meso_t_atom.html b/doc/compute_meso_t_atom.html
index 596d140ba1..180ed3f6cc 100644
--- a/doc/compute_meso_t_atom.html
+++ b/doc/compute_meso_t_atom.html
@@ -8,7 +8,7 @@
- compute meso_t/atom command — LAMMPS 15 Dec 2015 documentation
+ compute meso_t/atom command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -204,7 +204,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_modify.html b/doc/compute_modify.html
index f359bf33ce..a3d9895689 100644
--- a/doc/compute_modify.html
+++ b/doc/compute_modify.html
@@ -8,7 +8,7 @@
- compute_modify command — LAMMPS 15 Dec 2015 documentation
+ compute_modify command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -224,7 +224,7 @@ defined with no extra keywords; otherwise it is no.
@@ -265,7 +265,7 @@ distance^2 units.
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_msd_chunk.html b/doc/compute_msd_chunk.html
index 08ef5c2cef..8d826ccaad 100644
--- a/doc/compute_msd_chunk.html
+++ b/doc/compute_msd_chunk.html
@@ -8,7 +8,7 @@
- compute msd/chunk command — LAMMPS 15 Dec 2015 documentation
+ compute msd/chunk command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -269,7 +269,7 @@ distance^2 units.
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_msd_nongauss.html b/doc/compute_msd_nongauss.html
index f42a2c6bf7..0117f374ca 100644
--- a/doc/compute_msd_nongauss.html
+++ b/doc/compute_msd_nongauss.html
@@ -8,7 +8,7 @@
- compute msd/nongauss command — LAMMPS 15 Dec 2015 documentation
+ compute msd/nongauss command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -226,7 +226,7 @@ was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_omega_chunk.html b/doc/compute_omega_chunk.html
index 6a0e09e2df..541cd7c5cb 100644
--- a/doc/compute_omega_chunk.html
+++ b/doc/compute_omega_chunk.html
@@ -8,7 +8,7 @@
- compute omega/chunk command — LAMMPS 15 Dec 2015 documentation
+ compute omega/chunk command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -236,7 +236,7 @@ velocity/distance units
@@ -266,7 +266,7 @@ options.
@@ -230,7 +230,7 @@ see the doc page for the pair style for details.
@@ -264,7 +264,7 @@ output for eng will be in energy
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_pe.html b/doc/compute_pe.html
index 1ec611fc59..0cc23e044c 100644
--- a/doc/compute_pe.html
+++ b/doc/compute_pe.html
@@ -8,7 +8,7 @@
- compute pe command — LAMMPS 15 Dec 2015 documentation
+ compute pe command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -245,7 +245,7 @@ scalar value will be in energy <
@@ -236,7 +236,7 @@ LAMMPS output options.
@@ -208,7 +208,7 @@ viscoelasticity model for peridynamics”, Sandia National Lab Report,
@@ -277,7 +277,7 @@ options.
@@ -310,7 +310,7 @@ units for q, etc.
@@ -257,7 +257,7 @@ unitless or in the units discussed above.
@@ -286,7 +286,7 @@ specified attribute.
@@ -302,7 +302,7 @@ change from zero to one at the location of the spike in g(r).
@@ -327,7 +327,7 @@ quantities being reduced are in.
@@ -169,7 +169,7 @@ fix saed/vtk 1 1 1 c_2 file Ni_000.saed
Description¶
Define a computation that calculates electron diffraction intensity as
-described in (Coleman) on a mesh of reciprocal lattice nodes
+described in (Coleman) on a mesh of reciprocal lattice nodes
defined by the entire simulation domain (or manually) using simulated
radiation of wavelength lambda.
The electron diffraction intensity I at each reciprocal lattice point
@@ -330,7 +330,7 @@ Volume C: Mathematical and Chemical Tables, 554-95 (2004).
@@ -256,7 +256,7 @@ input quantities are in.
@@ -201,7 +201,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_smd_damage.html b/doc/compute_smd_damage.html
index de54818ea6..25bc28d8e7 100644
--- a/doc/compute_smd_damage.html
+++ b/doc/compute_smd_damage.html
@@ -8,7 +8,7 @@
- compute smd/damage command — LAMMPS 15 Dec 2015 documentation
+ compute smd/damage command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -198,7 +198,7 @@ section for more info.
@@ -205,7 +205,7 @@ section for more info.
@@ -197,7 +197,7 @@ updated Lagrangian or total Lagrangian SPH pair styles.
@@ -200,7 +200,7 @@ updated Lagrangian or total Lagrangian SPH pair styles.
@@ -200,7 +200,7 @@ updated Lagrangian or total Lagrangian SPH pair styles.
@@ -199,7 +199,7 @@ section for more info.
@@ -202,7 +202,7 @@ total Lagrangian SPH pair style.
@@ -203,7 +203,7 @@ section for more info.
@@ -199,7 +199,7 @@ section for more info.
@@ -201,7 +201,7 @@ section for more info.
@@ -202,7 +202,7 @@ section for more info.
@@ -200,7 +200,7 @@ section for more info.
@@ -201,7 +201,7 @@ section for more info.
@@ -204,7 +204,7 @@ section for more info.
@@ -198,7 +198,7 @@ section for more info. This compute can only be used for particles which interac
@@ -200,7 +200,7 @@ section for more info. This compute can only be used for particles which interac
@@ -200,7 +200,7 @@ section for more info. This compute can only be used for particles which interac
@@ -203,7 +203,7 @@ section for more info. This compute can only be used for particles which interac
@@ -202,7 +202,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_sna_atom.html b/doc/compute_sna_atom.html
index 861afa29b7..fa2d906f76 100644
--- a/doc/compute_sna_atom.html
+++ b/doc/compute_sna_atom.html
@@ -8,7 +8,7 @@
- compute sna/atom command — LAMMPS 15 Dec 2015 documentation
+ compute sna/atom command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -362,7 +362,7 @@ of Angular Momentum, World Scientific, Singapore (1987).
@@ -295,7 +295,7 @@ options.
@@ -235,7 +235,7 @@ heat/flux*_compute_heat_flux.html
@@ -253,7 +253,7 @@ vector values will be in energy
@@ -290,7 +290,7 @@ shape attribute.
@@ -363,7 +363,7 @@ system (2 or 3), and cdof = 0.0.
@@ -235,7 +235,7 @@ vector values will be in energy
@@ -254,7 +254,7 @@ be used which generate new molecules or atoms during a simulation.
@@ -276,7 +276,7 @@ vector values will be in energy
@@ -216,7 +216,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_temp_drude.html b/doc/compute_temp_drude.html
index 0081576cf7..ffc855420b 100644
--- a/doc/compute_temp_drude.html
+++ b/doc/compute_temp_drude.html
@@ -8,7 +8,7 @@
- compute temp/drude command — LAMMPS 15 Dec 2015 documentation
+ compute temp/drude command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -224,7 +224,7 @@ assumed to be constant for the duration of the run unless the
@@ -241,7 +241,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_temp_partial.html b/doc/compute_temp_partial.html
index 26bcdbb84f..e2774d0bf6 100644
--- a/doc/compute_temp_partial.html
+++ b/doc/compute_temp_partial.html
@@ -8,7 +8,7 @@
- compute temp/partial command — LAMMPS 15 Dec 2015 documentation
+ compute temp/partial command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -255,7 +255,7 @@ vector values will be in energy
@@ -318,7 +318,7 @@ will be for most thermostats.
@@ -256,7 +256,7 @@ vector values will be in energy
@@ -248,7 +248,7 @@ vector values will be in energy
@@ -208,7 +208,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_temp_rotate.html b/doc/compute_temp_rotate.html
index 96cc9c6db8..a3f303142c 100644
--- a/doc/compute_temp_rotate.html
+++ b/doc/compute_temp_rotate.html
@@ -8,7 +8,7 @@
- compute temp/rotate command — LAMMPS 15 Dec 2015 documentation
+ compute temp/rotate command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -234,7 +234,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_temp_sphere.html b/doc/compute_temp_sphere.html
index 48635cb877..0a6bffaa67 100644
--- a/doc/compute_temp_sphere.html
+++ b/doc/compute_temp_sphere.html
@@ -8,7 +8,7 @@
- compute temp/sphere command — LAMMPS 15 Dec 2015 documentation
+ compute temp/sphere command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -278,7 +278,7 @@ particles with radius = 0.0.
@@ -273,7 +273,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_torque_chunk.html b/doc/compute_torque_chunk.html
index 649e817f3d..5786aaf120 100644
--- a/doc/compute_torque_chunk.html
+++ b/doc/compute_torque_chunk.html
@@ -8,7 +8,7 @@
- compute torque/chunk command — LAMMPS 15 Dec 2015 documentation
+ compute torque/chunk command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -235,7 +235,7 @@ force-distance units
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_vacf.html b/doc/compute_vacf.html
index 4fc5176717..9526c8f4aa 100644
--- a/doc/compute_vacf.html
+++ b/doc/compute_vacf.html
@@ -8,7 +8,7 @@
- compute vacf command — LAMMPS 15 Dec 2015 documentation
+ compute vacf command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -225,7 +225,7 @@ velocity^2 units.
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_vcm_chunk.html b/doc/compute_vcm_chunk.html
index 7865697100..8202229db8 100644
--- a/doc/compute_vcm_chunk.html
+++ b/doc/compute_vcm_chunk.html
@@ -8,7 +8,7 @@
- compute vcm/chunk command — LAMMPS 15 Dec 2015 documentation
+ compute vcm/chunk command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -222,7 +222,7 @@ velocity units.
@@ -314,7 +314,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/compute_xrd.html b/doc/compute_xrd.html
index 1dbfd36eb4..4b0c520962 100644
--- a/doc/compute_xrd.html
+++ b/doc/compute_xrd.html
@@ -8,7 +8,7 @@
- compute xrd command — LAMMPS 15 Dec 2015 documentation
+ compute xrd command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -167,7 +167,7 @@ fix 2 all ave/histo/weight 1 1 1 10 100 250 c_2[1] c_2[2] mode vector file Deg2T
Description¶
Define a computation that calculates x-ray diffraction intensity as described
-in (Coleman) on a mesh of reciprocal lattice nodes defined
+in (Coleman) on a mesh of reciprocal lattice nodes defined
by the entire simulation domain (or manually) using a simulated radiation
of wavelength lambda.
The x-ray diffraction intensity, I, at each reciprocal lattice point, k,
@@ -356,7 +356,7 @@ Volume C: Mathematical and Chemical Tables, 249-429 (2004).
@@ -460,7 +460,7 @@ random, and units = lattice.
@@ -258,7 +258,7 @@ molecule template files via the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/create_box.html b/doc/create_box.html
index b3b7528094..0a8cd0e511 100644
--- a/doc/create_box.html
+++ b/doc/create_box.html
@@ -8,7 +8,7 @@
- create_box command — LAMMPS 15 Dec 2015 documentation
+ create_box command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -293,7 +293,7 @@ been previously defined to use this command.
@@ -295,7 +295,7 @@ using molecule template files via the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/delete_bonds.html b/doc/delete_bonds.html
index a36ebc3e4f..9a8e36a9c4 100644
--- a/doc/delete_bonds.html
+++ b/doc/delete_bonds.html
@@ -8,7 +8,7 @@
- delete_bonds command — LAMMPS 15 Dec 2015 documentation
+ delete_bonds command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -294,7 +294,7 @@ which case you probably should be recomputing the weighting list.
@@ -199,7 +199,7 @@ details.
@@ -149,9 +149,9 @@ dihedral_coeff 1 120.0 1 60 0.5
Description¶
The charmm dihedral style uses the potential
-See (MacKerell) for a description of the CHARMM force
+
See (MacKerell) for a description of the CHARMM force
field. This dihedral style can also be used for the AMBER force field
-(see comment on weighting factors below). See (Cornell)
+(see comment on weighting factors below). See (Cornell)
for a description of the AMBER force field.
The following coefficients must be defined for each dihedral type via the
dihedral_coeff command as in the example above, or in
@@ -252,7 +252,7 @@ Fischer, Gao, Guo, Ha, et al, J Phys Chem B, 102, 3586 (1998).
@@ -156,7 +156,7 @@ Eebt is an end-bond-torsion term, Eat is an angle-torsion term, Eaat
is an angle-angle-torsion term, and Ebb13 is a bond-bond-13 term.
Theta1 and theta2 are equilibrium angles and r1 r2 r3 are equilibrium
bond lengths.
-See (Sun) for a description of the COMPASS class2 force field.
+See (Sun) for a description of the COMPASS class2 force field.
Coefficients for the Ed, Embt, Eebt, Eat, Eaat, and Ebb13 formulas
must be defined for each dihedral type via the
dihedral_coeff command as in the example above,
@@ -315,7 +315,7 @@ section for more info on packages.
@@ -256,7 +256,7 @@ set, either in the input script or in a data file.
@@ -229,7 +229,7 @@ section for more info on packages.
@@ -222,7 +222,7 @@ section for more info on packages.
@@ -230,7 +230,7 @@ MOLECULE package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/dihedral_helix.html b/doc/dihedral_helix.html
index 0f3c7268fa..e1aabb0b2f 100644
--- a/doc/dihedral_helix.html
+++ b/doc/dihedral_helix.html
@@ -8,7 +8,7 @@
- dihedral_style helix command — LAMMPS 15 Dec 2015 documentation
+ dihedral_style helix command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -225,7 +225,7 @@ MOLECULE package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/dihedral_hybrid.html b/doc/dihedral_hybrid.html
index 61850413c3..6a35b3e733 100644
--- a/doc/dihedral_hybrid.html
+++ b/doc/dihedral_hybrid.html
@@ -8,7 +8,7 @@
- dihedral_style hybrid command — LAMMPS 15 Dec 2015 documentation
+ dihedral_style hybrid command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -241,7 +241,7 @@ restart file, you need to re-specify dihedral_coeff commands.
@@ -218,7 +218,7 @@ MOLECULE package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/dihedral_nharmonic.html b/doc/dihedral_nharmonic.html
index bc008bbf9b..b33490ac85 100644
--- a/doc/dihedral_nharmonic.html
+++ b/doc/dihedral_nharmonic.html
@@ -8,7 +8,7 @@
- dihedral_style nharmonic command — LAMMPS 15 Dec 2015 documentation
+ dihedral_style nharmonic command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -219,7 +219,7 @@ section for more info on packages.
@@ -184,7 +184,7 @@ data file read by the re
@@ -227,7 +227,7 @@ MOLECULE package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/dihedral_quadratic.html b/doc/dihedral_quadratic.html
index c3689ae286..d0be37a07d 100644
--- a/doc/dihedral_quadratic.html
+++ b/doc/dihedral_quadratic.html
@@ -8,7 +8,7 @@
- dihedral_style quadratic command — LAMMPS 15 Dec 2015 documentation
+ dihedral_style quadratic command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -219,7 +219,7 @@ section for more info on packages.
@@ -262,7 +262,7 @@ a package.
@@ -342,7 +342,7 @@ section for more info on packages.
@@ -206,7 +206,7 @@ meaning their moment of inertia will be the same as in 3d.
@@ -289,7 +289,7 @@ attempted to be.
@@ -736,7 +736,7 @@ machines.
@@ -264,7 +264,7 @@ Comp. Phys. Comm. 185(6), 1546-1553 (2014) -
@@ -693,7 +693,7 @@ mp4).
@@ -1011,7 +1011,7 @@ Divide each value by 255 to get the equivalent 0.0 to 1.0 value.
@@ -270,7 +270,7 @@ with a set of header files that are compatible with VMD 1.9 and 1.9.1
@@ -196,7 +196,7 @@ in place of this command.
@@ -415,7 +415,7 @@ The doc pages for individual fixes tell if it is part of a package.
@@ -432,7 +432,7 @@ parameters on the outermost rRESPA level.
@@ -431,7 +431,7 @@ This fix is not invoked during
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_addforce.html b/doc/fix_addforce.html
index 9a6614f451..aaf6a2bcce 100644
--- a/doc/fix_addforce.html
+++ b/doc/fix_addforce.html
@@ -8,7 +8,7 @@
- fix addforce command — LAMMPS 15 Dec 2015 documentation
+ fix addforce command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -312,7 +312,7 @@ system (the quantity being minimized), you MUST enable the
@@ -235,7 +235,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_append_atoms.html b/doc/fix_append_atoms.html
index 1b1fa32182..26d24e6a5b 100644
--- a/doc/fix_append_atoms.html
+++ b/doc/fix_append_atoms.html
@@ -8,7 +8,7 @@
- fix append/atoms command — LAMMPS 15 Dec 2015 documentation
+ fix append/atoms command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -257,7 +257,7 @@ added atoms are of type 1 unless the basis keyword is used.
@@ -400,7 +400,7 @@ fix_modify AtC output nvtFE 100 text
@@ -323,7 +323,7 @@ L Zepeda-Ruiz, Phys. Rev. B, 85, 184203 (2012).
@@ -286,7 +286,7 @@ the run command. Thi
@@ -554,7 +554,7 @@ title 1,2,3 = strings as described above.
@@ -449,7 +449,7 @@ output, title 1,2,3 = strings as described above, and prefactor = 1.0.
@@ -283,7 +283,7 @@ A.E. Likhtman, J. Chem. Phys. 133, 154103 (2010).
@@ -452,7 +452,7 @@ output, beyond = ignore, and title 1,2,3 = strings as described above.
@@ -533,7 +533,7 @@ output, and title 1,2,3 = strings as described above.
@@ -444,7 +444,7 @@ file output, and title 1,2,3 = strings as described above.
@@ -445,7 +445,7 @@ off settings for any input values.
@@ -262,7 +262,7 @@ the iteration count during the minimization.
@@ -499,7 +499,7 @@ style.
@@ -294,7 +294,7 @@ built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_bond_create.html b/doc/fix_bond_create.html
index 8cfa7bf569..52b005a6f5 100644
--- a/doc/fix_bond_create.html
+++ b/doc/fix_bond_create.html
@@ -8,7 +8,7 @@
- fix bond/create command — LAMMPS 15 Dec 2015 documentation
+ fix bond/create command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -391,7 +391,7 @@ prob = 1.0.
@@ -323,7 +323,7 @@ cannot use a dihedral or improper potential.
@@ -481,7 +481,7 @@ and if the tilt factor is not coupled to the barostat via keywords
@@ -270,7 +270,7 @@ and tstat = NULL.
@@ -692,7 +692,7 @@ xy) that is shrink-wrapped via the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_deposit.html b/doc/fix_deposit.html
index a3059ca8ae..6979abfbff 100644
--- a/doc/fix_deposit.html
+++ b/doc/fix_deposit.html
@@ -8,7 +8,7 @@
- fix deposit command — LAMMPS 15 Dec 2015 documentation
+ fix deposit command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -415,7 +415,7 @@ and units = lattice.
@@ -212,7 +212,7 @@ the run command. Thi
@@ -201,7 +201,7 @@ the Drude oscillator model, such as
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_drude_transform.html b/doc/fix_drude_transform.html
index bd474c5d75..07c27515ae 100644
--- a/doc/fix_drude_transform.html
+++ b/doc/fix_drude_transform.html
@@ -8,7 +8,7 @@
- fix drude/transform/direct command — LAMMPS 15 Dec 2015 documentation
+ fix drude/transform/direct command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -313,7 +313,7 @@ to add a fix momentum command:
@@ -240,7 +240,7 @@ the run command. Thi
@@ -294,7 +294,7 @@ was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_enforce2d.html b/doc/fix_enforce2d.html
index 8ef07b11bd..8fede8daaa 100644
--- a/doc/fix_enforce2d.html
+++ b/doc/fix_enforce2d.html
@@ -8,7 +8,7 @@
- fix enforce2d command — LAMMPS 15 Dec 2015 documentation
+ fix enforce2d command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -215,7 +215,7 @@ invoked by the minimize
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_evaporate.html b/doc/fix_evaporate.html
index 412b699283..81d4068186 100644
--- a/doc/fix_evaporate.html
+++ b/doc/fix_evaporate.html
@@ -8,7 +8,7 @@
- fix evaporate command — LAMMPS 15 Dec 2015 documentation
+ fix evaporate command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -245,7 +245,7 @@ was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_external.html b/doc/fix_external.html
index 926ba70364..4df128a09f 100644
--- a/doc/fix_external.html
+++ b/doc/fix_external.html
@@ -8,7 +8,7 @@
- fix external command — LAMMPS 15 Dec 2015 documentation
+ fix external command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -288,7 +288,7 @@ system (the quantity being minimized), you MUST enable the
@@ -229,7 +229,7 @@ this fix is applied.
@@ -471,7 +471,7 @@ Academic Press, London, 2002.
@@ -289,7 +289,7 @@ was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_gle.html b/doc/fix_gle.html
index a7e21583b8..1c33e2dec3 100644
--- a/doc/fix_gle.html
+++ b/doc/fix_gle.html
@@ -8,7 +8,7 @@
- fix gle command — LAMMPS 15 Dec 2015 documentation
+ fix gle command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -287,7 +287,7 @@ was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_gravity.html b/doc/fix_gravity.html
index 1f10b742bf..b5ab057a9b 100644
--- a/doc/fix_gravity.html
+++ b/doc/fix_gravity.html
@@ -8,7 +8,7 @@
- fix gravity command — LAMMPS 15 Dec 2015 documentation
+ fix gravity command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -283,7 +283,7 @@ the run command. Thi
@@ -270,7 +270,7 @@ the run command. Thi
@@ -293,7 +293,7 @@ needs to use a different port number.
@@ -344,7 +344,7 @@ option for this fix.
@@ -233,7 +233,7 @@ environment.
@@ -456,7 +456,7 @@ types, tally = no, zero = no, gjf = no.
@@ -401,7 +401,7 @@ Phys Chem Lett, 2, 87-92 (2011).
@@ -256,7 +256,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_lb_fluid.html b/doc/fix_lb_fluid.html
index da841e0bc5..98d6283ebc 100644
--- a/doc/fix_lb_fluid.html
+++ b/doc/fix_lb_fluid.html
@@ -8,7 +8,7 @@
- fix lb/fluid command — LAMMPS 15 Dec 2015 documentation
+ fix lb/fluid command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -210,7 +210,7 @@ finite difference LB integrator is used. If LBtype is set equal to
functions,
Full details of the lattice-Boltzmann algorithm used can be found in
-Mackay et al..
+Mackay et al..
The fluid is coupled to the MD particles described by group-ID
through a velocity dependent force. The contribution to the fluid
force on a given lattice mesh site j due to MD particle alpha is
@@ -242,7 +242,7 @@ using the setArea keyword.
The user also has the option of specifying their own value for the
force coupling constant, for all the MD particles associated with the
fix, through the use of the setGamma keyword. This may be useful
-when modelling porous particles. See Mackay et al. for a
+when modelling porous particles. See Mackay et al. for a
detailed description of the method by which the user can choose an
appropriate gamma value.
@@ -256,7 +256,7 @@ This fix adds the hydrodynamic force to the total force acting on the
particles, after which any of the built-in LAMMPS integrators can be
used to integrate the particle motion. However, if the user specifies
their own value for the force coupling constant, as mentioned in
-Mackay et al., the built-in LAMMPS integrators may prove to
+Mackay et al., the built-in LAMMPS integrators may prove to
be unstable. Therefore, we have included our own integrators fix lb/rigid/pc/sphere, and fix lb/pc, to solve for the particle motion in these
cases. These integrators should not be used with the
lb/viscous fix, as they add hydrodynamic forces
@@ -341,7 +341,7 @@ N timesteps.
If the keyword trilinear is used, the trilinear stencil is used to
interpolate the particle nodes onto the fluid mesh. By default, the
immersed boundary method, Peskin stencil is used. Both of these
-interpolation methods are described in Mackay et al..
+interpolation methods are described in Mackay et al..
If the keyword D3Q19 is used, the 19 velocity (D3Q19) lattice is
used by the lattice-Boltzmann algorithm. By default, the 15 velocity
(D3Q15) lattice is used.
@@ -371,7 +371,7 @@ the fluid densities and velocities at each lattice site are printed to the
screen every N timesteps.
For further details, as well as descriptions and results of several
-test runs, see Mackay et al.. Please include a citation to
+test runs, see Mackay et al.. Please include a citation to
this paper if the lb_fluid fix is used in work contributing to
published research.
@@ -463,7 +463,7 @@ If walls are present, they are assumed to be stationary.
@@ -225,7 +225,7 @@ was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_lb_pc.html b/doc/fix_lb_pc.html
index 611665c640..6138240cff 100644
--- a/doc/fix_lb_pc.html
+++ b/doc/fix_lb_pc.html
@@ -8,7 +8,7 @@
- fix lb/pc command — LAMMPS 15 Dec 2015 documentation
+ fix lb/pc command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -206,7 +206,7 @@ command.
@@ -295,7 +295,7 @@ by default.
@@ -230,7 +230,7 @@ used.
@@ -204,7 +204,7 @@ invoked by the minimize
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_meso.html b/doc/fix_meso.html
index b7f7683177..ce99c1cd1b 100644
--- a/doc/fix_meso.html
+++ b/doc/fix_meso.html
@@ -8,7 +8,7 @@
- fix meso command — LAMMPS 15 Dec 2015 documentation
+ fix meso command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -202,7 +202,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_meso_stationary.html b/doc/fix_meso_stationary.html
index 6a93c3d667..831b8966fa 100644
--- a/doc/fix_meso_stationary.html
+++ b/doc/fix_meso_stationary.html
@@ -8,7 +8,7 @@
- fix meso/stationary command — LAMMPS 15 Dec 2015 documentation
+ fix meso/stationary command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -203,7 +203,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_modify.html b/doc/fix_modify.html
index b1284b284a..4c021ac58f 100644
--- a/doc/fix_modify.html
+++ b/doc/fix_modify.html
@@ -8,7 +8,7 @@
- fix_modify command — LAMMPS 15 Dec 2015 documentation
+ fix_modify command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -226,7 +226,7 @@ by fix, energy = no.
@@ -227,7 +227,7 @@ This fix is not invoked during
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_move.html b/doc/fix_move.html
index 3a1b450b8e..5af8db34f0 100644
--- a/doc/fix_move.html
+++ b/doc/fix_move.html
@@ -8,7 +8,7 @@
- fix move command — LAMMPS 15 Dec 2015 documentation
+ fix move command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -370,7 +370,7 @@ position and velocity of atoms on the outermost rRESPA level.
@@ -295,7 +295,7 @@ are calculated on the first step.
@@ -248,7 +248,7 @@ for more info on packages.
@@ -142,6 +142,9 @@
fix npt/cuda command¶
+
+fix npt/intel command¶
+
fix npt/kk command¶
@@ -233,11 +236,11 @@ particles will match the target values specified by Tstart/Tstop and
Pstart/Pstop.
The equations of motion used are those of Shinoda et al in
(Shinoda), which combine the hydrostatic equations of
-Martyna, Tobias and Klein in (Martyna) with the strain
+Martyna, Tobias and Klein in (Martyna) with the strain
energy proposed by Parrinello and Rahman in
-(Parrinello). The time integration schemes closely
+(Parrinello). The time integration schemes closely
follow the time-reversible measure-preserving Verlet and rRESPA
-integrators derived by Tuckerman et al in (Tuckerman).
+integrators derived by Tuckerman et al in (Tuckerman).
The thermostat parameters for fix styles nvt and npt is specified
using the temp keyword. Other thermostat-related keywords are
@@ -394,7 +397,7 @@ freedom. A value of 0 corresponds to no thermostatting of the
barostat variables.
The mtk keyword controls whether or not the correction terms due to
Martyna, Tuckerman, and Klein are included in the equations of motion
-(Martyna). Specifying no reproduces the original
+(Martyna). Specifying no reproduces the original
Hoover barostat, whose volume probability distribution function
differs from the true NPT and NPH ensembles by a factor of 1/V. Hence
using yes is more correct, but in many cases the difference is
@@ -403,7 +406,7 @@ negligible.
scheme at little extra cost. The initial and final updates of the
thermostat variables are broken up into tloop substeps, each of
length dt/tloop. This corresponds to using a first-order
-Suzuki-Yoshida scheme (Tuckerman). The keyword ploop
+Suzuki-Yoshida scheme (Tuckerman). The keyword ploop
does the same thing for the barostat thermostat.
The keyword nreset controls how often the reference dimensions used
to define the strain energy are reset. If this keyword is not used,
@@ -718,7 +721,7 @@ Martyna, J Phys A: Math Gen, 39, 5629 (2006).
@@ -295,7 +295,7 @@ Martyna, J Phys A: Math Gen, 39, 5629 (2006).
@@ -281,7 +281,7 @@ shape attribute.
@@ -279,7 +279,7 @@ be point particles.
@@ -357,7 +357,7 @@ plus the additional ones mentioned above.
@@ -304,7 +304,7 @@ shape attribute.
@@ -300,7 +300,7 @@ be point particles.
@@ -130,6 +130,9 @@
fix nve/cuda command¶
+
+fix nve/intel command¶
+
fix nve/kk command¶
@@ -226,7 +229,7 @@ This fix is not invoked during
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_nve.txt b/doc/fix_nve.txt
index 5be808d288..0ca3d6c60e 100644
--- a/doc/fix_nve.txt
+++ b/doc/fix_nve.txt
@@ -8,6 +8,7 @@
fix nve command :h3
fix nve/cuda command :h3
+fix nve/intel command :h3
fix nve/kk command :h3
fix nve/omp command :h3
diff --git a/doc/fix_nve_asphere.html b/doc/fix_nve_asphere.html
index 681cddd7b3..24e197d120 100644
--- a/doc/fix_nve_asphere.html
+++ b/doc/fix_nve_asphere.html
@@ -8,7 +8,7 @@
- fix nve/asphere command — LAMMPS 15 Dec 2015 documentation
+ fix nve/asphere command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -126,6 +126,9 @@
fix nve/asphere command¶
+
+
+fix nve/asphere/intel command¶
Syntax¶
fix ID group-ID nve/asphere
@@ -158,7 +161,24 @@ are relevant to this fix. No global or per-atom quantities are stored
by this fix for access by various output commands. No parameter of this fix can
be used with the start/stop keywords of the run command.
This fix is not invoked during energy minimization.
+
+Styles with a cuda, gpu, intel, kk, omp, or opt suffix are
+functionally the same as the corresponding style without the suffix.
+They have been optimized to run faster, depending on your available
+hardware, as discussed in Section_accelerate
+of the manual. The accelerated styles take the same arguments and
+should produce the same results, except for round-off and precision
+issues.
+These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
+KOKKOS, USER-OMP and OPT packages, respectively. They are only
+enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
+You can specify the accelerated styles explicitly in your input script
+by including their suffix, or you can use the -suffix command-line switch when you invoke LAMMPS, or you can
+use the suffix command in your input script.
+See Section_accelerate of the manual for
+more instructions on how to use the accelerated styles effectively.
+
Restrictions¶
This fix is part of the ASPHERE package. It is only enabled if LAMMPS
@@ -208,7 +228,7 @@ shape attribute.
@@ -209,7 +209,7 @@ shape attribute.
@@ -208,7 +208,7 @@ point particles.
@@ -201,7 +201,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_nve_limit.html b/doc/fix_nve_limit.html
index 35b4cc6dd9..d4e771b950 100644
--- a/doc/fix_nve_limit.html
+++ b/doc/fix_nve_limit.html
@@ -8,7 +8,7 @@
- fix nve/limit command — LAMMPS 15 Dec 2015 documentation
+ fix nve/limit command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -239,7 +239,7 @@ the run command. Thi
@@ -206,7 +206,7 @@ was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_nve_noforce.html b/doc/fix_nve_noforce.html
index 092dfeeec7..7257a500c4 100644
--- a/doc/fix_nve_noforce.html
+++ b/doc/fix_nve_noforce.html
@@ -8,7 +8,7 @@
- fix nve/noforce command — LAMMPS 15 Dec 2015 documentation
+ fix nve/noforce command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -207,7 +207,7 @@ This fix is not invoked during
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_nve_sphere.html b/doc/fix_nve_sphere.html
index ba65f4f17c..0b8b42434e 100644
--- a/doc/fix_nve_sphere.html
+++ b/doc/fix_nve_sphere.html
@@ -8,7 +8,7 @@
- fix nve/sphere command — LAMMPS 15 Dec 2015 documentation
+ fix nve/sphere command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -239,7 +239,7 @@ be point particles.
@@ -206,7 +206,7 @@ was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_nvt_asphere.html b/doc/fix_nvt_asphere.html
index 2258708677..dfb6b4fc0e 100644
--- a/doc/fix_nvt_asphere.html
+++ b/doc/fix_nvt_asphere.html
@@ -8,7 +8,7 @@
- fix nvt/asphere command — LAMMPS 15 Dec 2015 documentation
+ fix nvt/asphere command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -283,7 +283,7 @@ shape attribute.
@@ -307,7 +307,7 @@ equilibration.
@@ -230,7 +230,7 @@ equilibration.
@@ -280,7 +280,7 @@ be point particles.
@@ -210,7 +210,7 @@ This fix is not invoked during
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_orient_fcc.html b/doc/fix_orient_fcc.html
index 066b363951..83e246927c 100644
--- a/doc/fix_orient_fcc.html
+++ b/doc/fix_orient_fcc.html
@@ -8,7 +8,7 @@
- fix orient/fcc command — LAMMPS 15 Dec 2015 documentation
+ fix orient/fcc command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -311,7 +311,7 @@ Angs.
@@ -319,7 +319,7 @@ molecular dynamics simulations,
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_pimd.html b/doc/fix_pimd.html
index ca67ae8287..92d3b9c4a6 100644
--- a/doc/fix_pimd.html
+++ b/doc/fix_pimd.html
@@ -8,7 +8,7 @@
- fix pimd command — LAMMPS 15 Dec 2015 documentation
+ fix pimd command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -171,7 +171,7 @@ index (the second term in the effective potential above). The
quasi-beads also interact with the two neighboring quasi-beads through
the spring potential in imaginary-time space (first term in effective
potential). To sample the canonical ensemble, a Nose-Hoover massive
-chain thermostat is applied (Tuckerman). With the
+chain thermostat is applied (Tuckerman). With the
massive chain algorithm, a chain of NH thermostats is coupled to each
degree of freedom for each quasi-bead. The keyword temp sets the
target temperature for the system and the keyword nhc sets the
@@ -312,7 +312,7 @@ Path Integrals, McGraw-Hill, New York (1965).
@@ -204,7 +204,7 @@ invoked by the minimize
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_poems.html b/doc/fix_poems.html
index bb35709caa..f301fe1055 100644
--- a/doc/fix_poems.html
+++ b/doc/fix_poems.html
@@ -8,7 +8,7 @@
- fix poems — LAMMPS 15 Dec 2015 documentation
+ fix poems — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -266,7 +266,7 @@ Engineering With Computers (2006). (
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_pour.html b/doc/fix_pour.html
index 10096aefd0..04c52725ff 100644
--- a/doc/fix_pour.html
+++ b/doc/fix_pour.html
@@ -8,7 +8,7 @@
- fix pour command — LAMMPS 15 Dec 2015 documentation
+ fix pour command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -362,7 +362,7 @@ Additional option defaults are diam = one 1.0, dens = 1.0 1.0, vol =
@@ -350,7 +350,7 @@ Phys, 81, 3684 (1984).
@@ -242,7 +242,7 @@ as described above.
@@ -352,7 +352,7 @@ This fix is not invoked during
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_qbmsst.html b/doc/fix_qbmsst.html
index 872e5968ef..c20d1bda6e 100644
--- a/doc/fix_qbmsst.html
+++ b/doc/fix_qbmsst.html
@@ -8,7 +8,7 @@
- fix qbmsst command — LAMMPS 15 Dec 2015 documentation
+ fix qbmsst command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -345,7 +345,7 @@ T_init=300.0. e0, p0, and v0 are calculated on the first step.
@@ -335,7 +335,7 @@ Physical Chemistry, 105, 9396-9049 (2001)
@@ -262,7 +262,7 @@ Phillpot, Phys Rev B, 81, 125328 (2010).
@@ -237,7 +237,7 @@ be used for periodic cell dimensions less than 10 angstroms.
@@ -209,7 +209,7 @@ executable. See the lib/qmmm/README file for details.
@@ -308,7 +308,7 @@ Lett, 103, 190601 (2009).
@@ -215,7 +215,7 @@ for more info.
@@ -291,7 +291,7 @@ by default.
@@ -274,7 +274,7 @@ move atoms a large distance.
@@ -321,7 +321,7 @@ the run command.
@@ -882,7 +882,7 @@ J Chem Phys, 116, 8649 (2002).
@@ -321,7 +321,7 @@ associated compute_sa
@@ -265,7 +265,7 @@ non-zero force to atoms during a minimization.
@@ -354,7 +354,7 @@ J of Comp Phys, 23, 327-341 (1977).
@@ -290,7 +290,7 @@ Jarzynski, Phys. Rev. Lett. 78, 2690 (1997)
@@ -206,7 +206,7 @@ section for more info.
@@ -204,7 +204,7 @@ section for more info.
@@ -212,7 +212,7 @@ section for more info.
@@ -223,7 +223,7 @@ section for more info.
@@ -229,7 +229,7 @@ section for more info.
@@ -156,7 +156,7 @@
@@ -210,7 +210,7 @@ section for more info. The molecule ID given to the particles created by this fi
@@ -292,7 +292,7 @@ fix.
@@ -219,7 +219,7 @@ This fix is not invoked during
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_spring_self.html b/doc/fix_spring_self.html
index 2ea02d24e4..3667c34f13 100644
--- a/doc/fix_spring_self.html
+++ b/doc/fix_spring_self.html
@@ -8,7 +8,7 @@
- fix spring/self command — LAMMPS 15 Dec 2015 documentation
+ fix spring/self command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -232,7 +232,7 @@ this fix.
@@ -542,7 +542,7 @@ Chem Phys, 132, 174106 (2010).
@@ -223,7 +223,7 @@ the run command. Thi
@@ -282,7 +282,7 @@ the run command. Thi
@@ -311,7 +311,7 @@ Phys, 81, 3684 (1984).
@@ -310,7 +310,7 @@ over time or the atom count becomes very small.
@@ -311,7 +311,7 @@ calculated by this fix is “extensive”.
@@ -219,7 +219,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_tfmc.html b/doc/fix_tfmc.html
index 4a0765f645..747660e37b 100644
--- a/doc/fix_tfmc.html
+++ b/doc/fix_tfmc.html
@@ -8,7 +8,7 @@
- fix tfmc command — LAMMPS 15 Dec 2015 documentation
+ fix tfmc command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -290,7 +290,7 @@ A. Stesmans, Phys. Rev. B 85, 134301 (2012).
@@ -301,7 +301,7 @@ bewteen solvent particles.
@@ -264,7 +264,7 @@ LAMMPS was built with those packages. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_ti_spring.html b/doc/fix_ti_spring.html
index 345541f1d2..d8a360db64 100644
--- a/doc/fix_ti_spring.html
+++ b/doc/fix_ti_spring.html
@@ -8,7 +8,7 @@
- fix ti/spring command — LAMMPS 15 Dec 2015 documentation
+ fix ti/spring command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -288,7 +288,7 @@ LAMMPS was built with those packages. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_tmd.html b/doc/fix_tmd.html
index c463333c0b..e018756837 100644
--- a/doc/fix_tmd.html
+++ b/doc/fix_tmd.html
@@ -8,7 +8,7 @@
- fix tmd command — LAMMPS 15 Dec 2015 documentation
+ fix tmd command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -264,7 +264,7 @@ Physics, 101, 3439-3443 (2003).
@@ -447,7 +447,7 @@ Plasma Phys., 53, 129-139 (2013).
@@ -241,7 +241,7 @@ called. Reneighboring is required.
@@ -297,7 +297,7 @@ stored values.
@@ -305,7 +305,7 @@ solvent particles.
@@ -268,7 +268,7 @@ for details.
@@ -434,7 +434,7 @@ erratum in JCP 84, 2901 (1986).
@@ -306,7 +306,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/fix_wall_piston.html b/doc/fix_wall_piston.html
index 110651c90d..055d23da6f 100644
--- a/doc/fix_wall_piston.html
+++ b/doc/fix_wall_piston.html
@@ -8,7 +8,7 @@
- fix wall/piston command — LAMMPS 15 Dec 2015 documentation
+ fix wall/piston command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -261,7 +261,7 @@ displaces atoms directly rather than exerting a force on them.
@@ -324,7 +324,7 @@ error.
@@ -349,7 +349,7 @@ option for this fix.
@@ -341,7 +341,7 @@ the run command. Thi
@@ -2238,7 +2238,7 @@
@@ -424,7 +424,7 @@ those currently in the dynamic group.
@@ -200,7 +200,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/if.html b/doc/if.html
index fabdc71a2d..8d207c621a 100644
--- a/doc/if.html
+++ b/doc/if.html
@@ -8,7 +8,7 @@
- if command — LAMMPS 15 Dec 2015 documentation
+ if command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -333,7 +333,7 @@ non-zero. If the result is zero, the expression result is FALSE.
@@ -165,7 +165,7 @@ theta angles, since it is always the center atom.
Since atom J is the atom of symmetry, normally the bonds J-I, J-K, J-L
would exist for an improper to be defined between the 4 atoms, but
this is not required.
-See (Sun) for a description of the COMPASS class2 force field.
+See (Sun) for a description of the COMPASS class2 force field.
Coefficients for the Ei and Eaa formulas must be defined for each
improper type via the improper_coeff command as
in the example above, or in the data file or restart files read by the
@@ -259,7 +259,7 @@ section for more info on packages.
@@ -244,7 +244,7 @@ set, either in the input script or in a data file.
@@ -231,7 +231,7 @@ section for more info on packages.
@@ -228,7 +228,7 @@ MOLECULE package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/improper_distance.html b/doc/improper_distance.html
index 018b404c1b..9143de0dbc 100644
--- a/doc/improper_distance.html
+++ b/doc/improper_distance.html
@@ -8,7 +8,7 @@
- improper_style distance command — LAMMPS 15 Dec 2015 documentation
+ improper_style distance command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -204,7 +204,7 @@ section for more info on packages.
@@ -224,7 +224,7 @@ section for more info on packages.
@@ -233,7 +233,7 @@ MOLECULE package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/improper_hybrid.html b/doc/improper_hybrid.html
index 077918f457..6fd843e309 100644
--- a/doc/improper_hybrid.html
+++ b/doc/improper_hybrid.html
@@ -8,7 +8,7 @@
- improper_style hybrid command — LAMMPS 15 Dec 2015 documentation
+ improper_style hybrid command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -217,7 +217,7 @@ restart file, you need to re-specify improper_coeff commands.
@@ -184,7 +184,7 @@ data file read by the re
@@ -236,7 +236,7 @@ J Chem Phys, 112, 9632 (2000).
@@ -244,7 +244,7 @@ a package.
@@ -154,7 +154,7 @@ axis and the IJK plane:
If omega0 = 0 the potential term has a minimum for the planar
structure. Otherwise it has two minima at +/- omega0, with a barrier
in between.
-See (Mayo) for a description of the DREIDING force field.
+See (Mayo) for a description of the DREIDING force field.
The following coefficients must be defined for each improper type via
the improper_coeff command as in the example
above, or in the data file or restart files read by the
@@ -228,7 +228,7 @@ MOLECULE package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/include.html b/doc/include.html
index 6534c08532..a963536260 100644
--- a/doc/include.html
+++ b/doc/include.html
@@ -8,7 +8,7 @@
- include command — LAMMPS 15 Dec 2015 documentation
+ include command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -196,7 +196,7 @@ scripts.
@@ -232,7 +232,7 @@ reported.
@@ -285,7 +285,7 @@ LAMMPS will come to the end of the file and exit.
@@ -457,7 +457,7 @@ Chem Theory Comput, 9, 5412 (2013).
@@ -477,7 +477,7 @@ Illinois at Urbana-Champaign, (2006).
@@ -192,7 +192,7 @@ script as discussed in the ju
@@ -434,7 +434,7 @@ a2 = 0 1 0, and a3 = 0 0 1.
@@ -201,7 +201,7 @@ details.
@@ -228,7 +228,7 @@ all be defined before a v
@@ -232,7 +232,7 @@ could move in the gradient direction to reduce forces further.
@@ -249,7 +249,7 @@ Jonsson, Mills, Jacobsen.
@@ -396,7 +396,7 @@ system will not fully relax.
@@ -569,7 +569,7 @@ of SHAKE clusters.
@@ -550,7 +550,7 @@ for more info on packages.
@@ -355,7 +355,7 @@ cluster = no, include = all, exclude = none, page = 100000, one =
@@ -237,7 +237,7 @@ are printed to the screen and log file. See
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/newton.html b/doc/newton.html
index 32955d9cf9..d4ff350c88 100644
--- a/doc/newton.html
+++ b/doc/newton.html
@@ -8,7 +8,7 @@
- newton command — LAMMPS 15 Dec 2015 documentation
+ newton command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -216,7 +216,7 @@ defined by a read_data
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/next.html b/doc/next.html
index b73bd35388..ae07d595de 100644
--- a/doc/next.html
+++ b/doc/next.html
@@ -8,7 +8,7 @@
- next command — LAMMPS 15 Dec 2015 documentation
+ next command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -291,7 +291,7 @@ jump in.script loopa
@@ -738,7 +738,7 @@ your input script or via the “-pk omp”
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_adp.html b/doc/pair_adp.html
index a04d1508e8..a03c9d21c1 100644
--- a/doc/pair_adp.html
+++ b/doc/pair_adp.html
@@ -8,7 +8,7 @@
- pair_style adp command — LAMMPS 15 Dec 2015 documentation
+ pair_style adp command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -309,7 +309,7 @@ if LAMMPS was built with that package (which it is by default).
@@ -323,7 +323,7 @@ Physics: Condensed Matter, 14, 783-802 (2002).
@@ -263,7 +263,7 @@ initial wavefunction, free for the wavepacket width.
@@ -248,7 +248,7 @@ to be specified in an input script that reads a restart file.
@@ -254,7 +254,7 @@ body/particle interactions requires the use of the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_bop.html b/doc/pair_bop.html
index ea8459e7db..251bfaff95 100644
--- a/doc/pair_bop.html
+++ b/doc/pair_bop.html
@@ -8,7 +8,7 @@
- pair_style bop command — LAMMPS 15 Dec 2015 documentation
+ pair_style bop command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -528,7 +528,7 @@ Zimmerman, Phys. Rev. B, 85,115206 (2012).
@@ -343,7 +343,7 @@ Fumi and Tosi, J Phys Chem Solids, 25, 45 (1964).
@@ -274,7 +274,7 @@ brownian.
@@ -133,6 +133,9 @@
pair_style buck/gpu command¶
+
+pair_style buck/intel command¶
+
pair_style buck/kk command¶
@@ -148,6 +151,9 @@
pair_style buck/coul/cut/gpu command¶
+
+pair_style buck/coul/cut/intel command¶
+
pair_style buck/coul/cut/kk command¶
@@ -166,6 +172,9 @@
pair_style buck/coul/long/gpu command¶
+
+pair_style buck/coul/long/intel command¶
+
pair_style buck/coul/long/kk command¶
@@ -364,7 +373,7 @@ for more info.
@@ -304,7 +304,7 @@ the KSPACE package is installed by default.
@@ -222,7 +222,7 @@ pair_coeff 1 1 100.0 2.0 150.0 3.5
additional switching function S(r) that ramps the energy and force
smoothly to zero between an inner and outer cutoff. It is a widely
used potential in the CHARMM MD code.
-See (MacKerell) for a description of the CHARMM force
+See (MacKerell) for a description of the CHARMM force
field.
Both the LJ and Coulombic terms require an inner and outer cutoff.
@@ -357,7 +357,7 @@ Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).
@@ -213,7 +213,7 @@ pair_coeff 1 1 100.0 3.5 9.0
Rc is the cutoff.
The lj/class2/coul/cut and lj/class2/coul/long styles add a
Coulombic term as described for the lj/cut pair styles.
-See (Sun) for a description of the COMPASS class2 force field.
+See (Sun) for a description of the COMPASS class2 force field.
The following coefficients must be defined for each pair of atoms
types via the pair_coeff command as in the examples
above, or in the data file or restart files read by the
@@ -328,7 +328,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_coeff.html b/doc/pair_coeff.html
index 4769a6d8cb..e86d387124 100644
--- a/doc/pair_coeff.html
+++ b/doc/pair_coeff.html
@@ -8,7 +8,7 @@
- pair_coeff command — LAMMPS 15 Dec 2015 documentation
+ pair_coeff command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -289,7 +289,7 @@ section of
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_colloid.html b/doc/pair_colloid.html
index e2c91084dd..8edc98b4d0 100644
--- a/doc/pair_colloid.html
+++ b/doc/pair_colloid.html
@@ -8,7 +8,7 @@
- pair_style colloid command — LAMMPS 15 Dec 2015 documentation
+ pair_style colloid command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -326,7 +326,7 @@ only per-type polydispersity is enabled via the pair_coeff parameters.
@@ -318,7 +318,7 @@ Y. Li, Z. Lu, S. R. Phillpot, and S. B. Sinnott, Mat. Sci. & Eng: R 74,
@@ -499,7 +499,7 @@ Phys, 110, 8254 (1999).
@@ -246,7 +246,7 @@ if LAMMPS was built with that package. See the M
@@ -232,7 +232,7 @@ enabled if LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_dipole.html b/doc/pair_dipole.html
index 4493bea344..492348851a 100644
--- a/doc/pair_dipole.html
+++ b/doc/pair_dipole.html
@@ -8,7 +8,7 @@
- pair_style lj/cut/dipole/cut command — LAMMPS 15 Dec 2015 documentation
+ pair_style lj/cut/dipole/cut command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -391,7 +391,7 @@ Clarendon Press, Oxford, 1987.
@@ -338,7 +338,7 @@ Phys Comm, 230, 7191-7201 (2011).
@@ -282,7 +282,7 @@ of Gas Flows” (1994).
@@ -587,7 +587,7 @@ Materials Science & Engineering, 7, 075005 (2009).
@@ -293,7 +293,7 @@ appropriate units if your simulation doesn’t use “metal” units
@@ -431,7 +431,7 @@ Chem, 32, 497-512 (2011).
@@ -304,7 +304,7 @@ Xiaowang Zhou (Sandia) for details via email at xzhou at sandia.gov.
@@ -294,7 +294,7 @@ enabled if LAMMPS is build with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_gayberne.html b/doc/pair_gayberne.html
index 33b8d76985..977de74351 100644
--- a/doc/pair_gayberne.html
+++ b/doc/pair_gayberne.html
@@ -8,7 +8,7 @@
- pair_style gayberne command — LAMMPS 15 Dec 2015 documentation
+ pair_style gayberne command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -346,7 +346,7 @@ Berardi, Muccioli, Zannoni, J Chem Phys, 128, 024905 (2008).
@@ -391,7 +391,7 @@ E, 64, p 051302 (2001).
@@ -303,7 +303,7 @@ support the inner, middle, outer keywords.
@@ -181,7 +181,7 @@ the donor atom, e.g. in a bond list read in from a data file via the
hydrogen atoms for each donor/acceptor type pair are specified by the
pair_coeff command (see below).
Style hbond/dreiding/lj is the original DREIDING potential of
-(Mayo). It uses a LJ 12/10 functional for the Donor-Acceptor
+(Mayo). It uses a LJ 12/10 functional for the Donor-Acceptor
interactions. To match the results in the original paper, use n = 4.
Style hbond/dreiding/morse is an improved version using a Morse
potential for the Donor-Acceptor interactions. (Liu) showed
@@ -377,7 +377,7 @@ thermo_style custom step temp epair v_E_hbond
@@ -511,7 +511,7 @@ the same or else LAMMPS will generate an error.
@@ -255,7 +255,7 @@ kim-api package version 1.6.0 and higher.
@@ -235,7 +235,7 @@ appropriate units if your simulation doesn’t use “metal” units
@@ -268,7 +268,7 @@ line/line or line/particle interactions requires the use the
@@ -281,7 +281,7 @@ LAMMPS is build with that package. See the Making
@@ -515,7 +515,7 @@ Phys, 79, 926 (1983).
@@ -251,7 +251,7 @@ details.
@@ -264,7 +264,7 @@ support the inner, middle, outer keywords.
@@ -255,7 +255,7 @@ to be specified in an input script that reads a restart file.
@@ -357,7 +357,7 @@ the KSPACE package is installed by default.
@@ -247,7 +247,7 @@ if LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_lj_smooth.html b/doc/pair_lj_smooth.html
index 5aafdb1c44..1abb3259db 100644
--- a/doc/pair_lj_smooth.html
+++ b/doc/pair_lj_smooth.html
@@ -8,7 +8,7 @@
- pair_style lj/smooth command — LAMMPS 15 Dec 2015 documentation
+ pair_style lj/smooth command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -264,7 +264,7 @@ to be specified in an input script that reads a restart file.
@@ -244,7 +244,7 @@ to be specified in an input script that reads a restart file.
@@ -437,7 +437,7 @@ Phys Lett, 222, 529 (1994).
@@ -345,7 +345,7 @@ Illinois Urbana-Champaign,
@@ -332,7 +332,7 @@ velocity-gradient direction. In this case, one must use
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_mdf.html b/doc/pair_mdf.html
index b1e6cabe84..38261bec5f 100644
--- a/doc/pair_mdf.html
+++ b/doc/pair_mdf.html
@@ -8,7 +8,7 @@
- pair_style lj/mdf command — LAMMPS 15 Dec 2015 documentation
+ pair_style lj/mdf command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -296,7 +296,7 @@ section for more info on packages.
@@ -482,7 +482,7 @@ of Ions in Matter”, Vol 1, 1985, Pergamon Press.
@@ -275,7 +275,7 @@ Kress, Modelling Simulation Materials Science Enginerring, 8, 825
@@ -269,7 +269,7 @@ and Hyoungki Park at The Ohio State University.
@@ -344,7 +344,7 @@ Oppelstrup and Moriarty, to be published.
@@ -239,7 +239,7 @@ G. Jackson, E. Muller, J Phys Chem B, 115, 11154 (2011).
@@ -398,7 +398,7 @@ mixing. See the doc pages for individual pair styles for details.
@@ -250,7 +250,7 @@ to be specified in an input script that reads a restart file.
@@ -259,7 +259,7 @@ package (which it is by default). See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_nm.html b/doc/pair_nm.html
index d9525bc43e..ad818d9182 100644
--- a/doc/pair_nm.html
+++ b/doc/pair_nm.html
@@ -8,7 +8,7 @@
- pair_style nm/cut command — LAMMPS 15 Dec 2015 documentation
+ pair_style nm/cut command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -308,7 +308,7 @@ LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_none.html b/doc/pair_none.html
index 56aa73a120..099b948c36 100644
--- a/doc/pair_none.html
+++ b/doc/pair_none.html
@@ -8,7 +8,7 @@
- pair_style none command — LAMMPS 15 Dec 2015 documentation
+ pair_style none command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -193,7 +193,7 @@ amount of memory. So you should either set the neighbor style to
@@ -338,7 +338,7 @@ Plasticity Model for Peridynamics. Sandia National Lab Report,
@@ -346,7 +346,7 @@ F. P. Doty, J. Mater. Sci. Res., 4, 15 (2015).
@@ -232,7 +232,7 @@ Review Letters 104, 136403 (2010).
@@ -350,7 +350,7 @@ Journal of Physical Chemistry A, 112, 1040-1053 (2008).
@@ -421,7 +421,7 @@ of Physical Chemistry A, 115, 11016-11022 (2011).
@@ -342,7 +342,7 @@ less accurate when high-aspect ratio ellipsoids are used.
@@ -295,7 +295,7 @@ was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_smd_hertz.html b/doc/pair_smd_hertz.html
index ad4c50c86a..bd6d5fd836 100644
--- a/doc/pair_smd_hertz.html
+++ b/doc/pair_smd_hertz.html
@@ -8,7 +8,7 @@
- pair_style smd/hertz command — LAMMPS 15 Dec 2015 documentation
+ pair_style smd/hertz command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -199,7 +199,7 @@ section for more info.
@@ -209,7 +209,7 @@ section for more info.
@@ -200,7 +200,7 @@ section for more info.
@@ -214,7 +214,7 @@ section for more info.
@@ -394,7 +394,7 @@ Phys, 110, 8254 (1999).
@@ -319,7 +319,7 @@ available at
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_soft.html b/doc/pair_soft.html
index 451f648ca2..c81f711471 100644
--- a/doc/pair_soft.html
+++ b/doc/pair_soft.html
@@ -8,7 +8,7 @@
- pair_style soft command — LAMMPS 15 Dec 2015 documentation
+ pair_style soft command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -278,7 +278,7 @@ to be specified in an input script that reads a restart file.
@@ -206,7 +206,7 @@ if LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_sph_idealgas.html b/doc/pair_sph_idealgas.html
index b7c3da6a42..de87029b57 100644
--- a/doc/pair_sph_idealgas.html
+++ b/doc/pair_sph_idealgas.html
@@ -8,7 +8,7 @@
- pair_style sph/idealgas command — LAMMPS 15 Dec 2015 documentation
+ pair_style sph/idealgas command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -214,7 +214,7 @@ if LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_sph_lj.html b/doc/pair_sph_lj.html
index dc378779f1..a162bac208 100644
--- a/doc/pair_sph_lj.html
+++ b/doc/pair_sph_lj.html
@@ -8,7 +8,7 @@
- pair_style sph/lj command — LAMMPS 15 Dec 2015 documentation
+ pair_style sph/lj command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -216,7 +216,7 @@ if LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_sph_rhosum.html b/doc/pair_sph_rhosum.html
index 99c7e9ec61..18112e896f 100644
--- a/doc/pair_sph_rhosum.html
+++ b/doc/pair_sph_rhosum.html
@@ -8,7 +8,7 @@
- pair_style sph/rhosum command — LAMMPS 15 Dec 2015 documentation
+ pair_style sph/rhosum command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -208,7 +208,7 @@ if LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_sph_taitwater.html b/doc/pair_sph_taitwater.html
index d28badd8f9..f35151763d 100644
--- a/doc/pair_sph_taitwater.html
+++ b/doc/pair_sph_taitwater.html
@@ -8,7 +8,7 @@
- pair_style sph/taitwater command — LAMMPS 15 Dec 2015 documentation
+ pair_style sph/taitwater command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -216,7 +216,7 @@ if LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_sph_taitwater_morris.html b/doc/pair_sph_taitwater_morris.html
index 467dcd62ce..0421f7fb02 100644
--- a/doc/pair_sph_taitwater_morris.html
+++ b/doc/pair_sph_taitwater_morris.html
@@ -8,7 +8,7 @@
- pair_style sph/taitwater/morris command — LAMMPS 15 Dec 2015 documentation
+ pair_style sph/taitwater/morris command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -214,7 +214,7 @@ if LAMMPS was built with that package. See the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_srp.html b/doc/pair_srp.html
index af66ce6cd6..07cf9ea6f9 100644
--- a/doc/pair_srp.html
+++ b/doc/pair_srp.html
@@ -8,7 +8,7 @@
- pair_style srp command — LAMMPS 15 Dec 2015 documentation
+ pair_style srp command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -296,7 +296,7 @@ Chem Phys, 136 (13) 134903, 2012.
@@ -371,7 +371,7 @@ package.
@@ -350,7 +350,7 @@ appropriate units if your simulation doesn’t use “metal” units
@@ -378,7 +378,7 @@ commands do need to be specified in the restart input script.
@@ -136,6 +136,9 @@
pair_style tersoff/gpu¶
+
+pair_style tersoff/intel¶
+
pair_style tersoff/kk¶
@@ -377,7 +380,7 @@ Condens. Matter, 15, 5649(2003).
@@ -314,7 +314,7 @@ Comp. Mat. Science, 39, 457 (2007).
@@ -380,7 +380,7 @@ Condens. Matter, 15, 5649(2003).
@@ -253,7 +253,7 @@ pairs are 1-4 partners of which dihedrals.
@@ -271,7 +271,7 @@ tri/particle interactions requires the use the
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
- VERSION:'15 Dec 2015',
+ VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
HAS_SOURCE: true
diff --git a/doc/pair_vashishta.html b/doc/pair_vashishta.html
index a6fe34d914..d071d4d40f 100644
--- a/doc/pair_vashishta.html
+++ b/doc/pair_vashishta.html
@@ -8,7 +8,7 @@
- pair_style vashishta command — LAMMPS 15 Dec 2015 documentation
+ pair_style vashishta command — LAMMPS 17 Dec 2015 documentation
@@ -32,7 +32,7 @@
-
+
@@ -350,7 +350,7 @@ appropriate units if your simulation doesn’t use “metal” units
@@ -225,7 +225,7 @@ pairwise portion of the potential, not the embedding portion.
@@ -245,7 +245,7 @@ to be specified in an input script that reads a restart file.
@@ -284,7 +284,7 @@ And Membranes, Westview Press, ISBN: 978-0813340791 (2003).
@@ -279,7 +279,7 @@ Stopping and Range of Ions in Matter,” Volume 1, Pergamon, 1985.
@@ -223,7 +223,7 @@ command lays out a 3d grid of processors in each of 2 partitions.
@@ -431,7 +431,7 @@ Research 32, 321 (2002).
@@ -232,7 +232,7 @@ thermodynamic properties, global values calculated by a
@@ -464,7 +464,7 @@ cart.
@@ -606,7 +606,7 @@ successfully.
@@ -196,7 +196,7 @@ returned.
@@ -1302,7 +1302,7 @@ fields:
@@ -443,7 +443,7 @@ no, add = no, scaled = no, wrapped = yes, and format = native.
@@ -373,7 +373,7 @@ package must be installed.
@@ -471,7 +471,7 @@ rotation.
@@ -243,7 +243,7 @@ this scenario.
@@ -333,7 +333,7 @@ infinity), start = same as first, stop = same as last, every = 0, skip
@@ -213,7 +213,7 @@ more details.
@@ -316,7 +316,7 @@ package must be installed.
@@ -351,7 +351,7 @@ timestep + N, pre = yes, and post = yes.
@@ -421,7 +421,7 @@ conserving energy to adequate precision.
@@ -164,7 +164,7 @@
@@ -522,7 +522,7 @@ coordinates outside the simulation box if they are ghost atoms.
@@ -252,7 +252,7 @@ executing the cd command will silently do nothing.
@@ -397,7 +397,7 @@ Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).
@@ -250,7 +250,7 @@ commands in your input script.
@@ -429,7 +429,7 @@ Research 32, 321 (2002).
@@ -277,7 +277,7 @@ for more info on packages.
@@ -215,7 +215,7 @@ thermo v_s
@@ -320,7 +320,7 @@ format defaults are “multi”, “%8d”, and “%14.4f
@@ -484,7 +484,7 @@ variable formula if this is not the case.
@@ -231,7 +231,7 @@ can just use the loop or off setting.
@@ -243,7 +243,7 @@ the outer loop (largest) timestep.
@@ -561,7 +561,7 @@ Let, 418, 245-249 (2006)
@@ -191,7 +191,7 @@ via the compute_mod
@@ -190,7 +190,7 @@ This closes the file associated with the dump.
@@ -191,7 +191,7 @@ via the fix_modify
@@ -369,7 +369,7 @@ distance to default values for each style:
@@ -1266,7 +1266,7 @@ must have the same number of values.
@@ -385,7 +385,7 @@ keywords are not defined by default.
@@ -270,7 +270,7 @@ setup, atom masses initialized, etc).
@@ -239,7 +239,7 @@ commands.
@@ -267,7 +267,7 @@ package must be installed.